5-[(4-methylsulfanylphenyl)carbamoylamino]-2-[4-(phenylmethyl)piperidin-1-yl]-N-propan-2-yl-benzamide

Systemtic Name: 5-[(4-methylsulfanylphenyl)carbamoylamino]-2-[4-(phenylmethyl)piperidin-1-yl]-N-propan-2-yl-benzamide Openeye Name: 2-(4-benzyl-1-piperidyl)-N-isopropyl-5-[(4-methylsulfanylphenyl)carbamoylamino]benzamide CAS Name: 5-[[[4-(methylthio)anilino]-oxomethyl]amino]-2-[4-(phenylmethyl)-1-piperidinyl]-N-propan-2-ylbenzamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-[(4-methylsulfanylphenyl)carbamoylamino]-N-propan-2-ylbenzamide Traditional Name: 2-(4-benzylpiperidino)-N-isopropyl-5-[[4-(methylthio)phenyl]carbamoylamino]benzamide Formula: C30H36N4O2S MolecularWeight: 516.69744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)SC)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)SC)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C30H36N4O2S/c1-21(2)31-29(35)27-20-25(33-30(36)32-24-9-12-26(37-3)13-10-24)11-14-28(27)34-17-15-23(16-18-34)19-22-7-5-4-6-8-22/h4-14,20-21,23H,15-19H2,1-3H3,(H,31,35)(H2,32,33,36)