1-[(2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[(2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]piperidine-4-carboxamide Openeye Name: 1-[(2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoyl]piperidine-4-carboxamide CAS Name: 1-[(2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]-4-piperidinecarboxamide IUPAC Name: 1-[(2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoyl]piperidine-4-carboxamide Traditional Name: 1-[(2S)-2-[(4-chlorobenzoyl)amino]-4-(methylthio)butanoyl]isonipecotamide Formula: C18H24ClN3O3S MolecularWeight: 397.91946

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCC(CC1)C(=O)N)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCC(CC1)C(=O)N)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H24ClN3O3S/c1-26-11-8-15(21-17(24)13-2-4-14(19)5-3-13)18(25)22-9-6-12(7-10-22)16(20)23/h2-5,12,15H,6-11H2,1H3,(H2,20,23)(H,21,24)/t15-/m0/s1