N-butyl-3-[[(4-cyclohexylcyclohexyl)-(phenylmethyl)carbamoyl]amino]-4-methylsulfanyl-benzamide

Systemtic Name: N-butyl-3-[[(4-cyclohexylcyclohexyl)-(phenylmethyl)carbamoyl]amino]-4-methylsulfanyl-benzamide Openeye Name: 3-[[benzyl-(4-cyclohexylcyclohexyl)carbamoyl]amino]-N-butyl-4-methylsulfanyl-benzamide CAS Name: N-butyl-3-[[[(4-cyclohexylcyclohexyl)-(phenylmethyl)amino]-oxomethyl]amino]-4-(methylthio)benzamide IUPAC Name: 3-[[benzyl-(4-cyclohexylcyclohexyl)carbamoyl]amino]-N-butyl-4-methylsulfanylbenzamide Traditional Name: 3-[[benzyl-(4-cyclohexylcyclohexyl)carbamoyl]amino]-N-butyl-4-(methylthio)benzamide Formula: C32H45N3O2S MolecularWeight: 535.7836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=C(C=C1)SC)NC(=O)N(CC2=CC=CC=C2)C3CCC(CC3)C4CCCCC4

Isomeric SMILES

CCCCNC(=O)C1=CC(=C(C=C1)SC)NC(=O)N(CC2=CC=CC=C2)C3CCC(CC3)C4CCCCC4

InChI

InChI=1S/C32H45N3O2S/c1-3-4-21-33-31(36)27-17-20-30(38-2)29(22-27)34-32(37)35(23-24-11-7-5-8-12-24)28-18-15-26(16-19-28)25-13-9-6-10-14-25/h5,7-8,11-12,17,20,22,25-26,28H,3-4,6,9-10,13-16,18-19,21,23H2,1-2H3,(H,33,36)(H,34,37)