3-benzoyl-1-(6-{[(phenylformamido)methanethioyl]amino}hexyl)thiourea

3-benzoyl-1-(6-{[(phenylformamido)methanethioyl]amino}hexyl)thiourea

Formula: C22H26N4O2S2

SMILES: O=C(NC(=S)NCCCCCCNC(=S)NC(=O)C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: 3-benzoyl-1-(6-{[(phenylformamido)methanethioyl]amino}hexyl)thiourea

InChI: InChI=1S/C22H26N4O2S2/c27-19(17-11-5-3-6-12-17)25-21(29)23-15-9-1-2-10-16-24-22(30)26-20(28)18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2,(H2,23,25,27,29)(H2,24,26,28,30)

Composition: C (59.70%), H (5.92%), N (12.66%), O (7.23%), S (14.49%)

Molar Mass: 442.6

Atom Count: 56

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	442.149718441
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	4
InChIKey	KSPOUHVMGISHNU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	129.28
Topological Polar Surface Area	82.26
Polarizability	49.47
Ring Count	2
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H26N4O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00