N-(4-chlorophenyl)-3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide

Systemtic Name: N-(4-chlorophenyl)-3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide Openeye Name: N-(4-chlorophenyl)-3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide CAS Name: N-(4-chlorophenyl)-3-[3-[[[4-(methylthio)phenyl]methylamino]-oxomethyl]phenyl]-1-piperidinecarboxamide IUPAC Name: N-(4-chlorophenyl)-3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide Traditional Name: N-(4-chlorophenyl)-3-[3-[[4-(methylthio)benzyl]carbamoyl]phenyl]piperidine-1-carboxamide Formula: C27H28ClN3O2S MolecularWeight: 494.04812

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)C3CCCN(C3)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)C3CCCN(C3)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H28ClN3O2S/c1-34-25-13-7-19(8-14-25)17-29-26(32)21-5-2-4-20(16-21)22-6-3-15-31(18-22)27(33)30-24-11-9-23(28)10-12-24/h2,4-5,7-14,16,22H,3,6,15,17-18H2,1H3,(H,29,32)(H,30,33)