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

Systemtic Name: 5-[(4-methylsulfanylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-yl-benzamide Openeye Name: 5-[(4-methylsulfanylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-(1-piperidyl)benzamide CAS Name: 5-[[[4-(methylthio)anilino]-oxomethyl]amino]-N-(1-phenylethyl)-2-(1-piperidinyl)benzamide IUPAC Name: 5-[(4-methylsulfanylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide Traditional Name: 5-[[4-(methylthio)phenyl]carbamoylamino]-N-(1-phenylethyl)-2-piperidino-benzamide Formula: C28H32N4O2S MolecularWeight: 488.64428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)SC)N4CCCCC4

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)SC)N4CCCCC4

InChI

InChI=1S/C28H32N4O2S/c1-20(21-9-5-3-6-10-21)29-27(33)25-19-23(13-16-26(25)32-17-7-4-8-18-32)31-28(34)30-22-11-14-24(35-2)15-12-22/h3,5-6,9-16,19-20H,4,7-8,17-18H2,1-2H3,(H,29,33)(H2,30,31,34)