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

Systemtic Name: 1-[2-[(2-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[(2-bromobenzoyl)amino]-4-methylsulfanyl-butanoyl]piperidine-4-carboxamide CAS Name: 1-[2-[[(2-bromophenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(2-bromobenzoyl)amino]-4-methylsulfanylbutanoyl]piperidine-4-carboxamide Traditional Name: 1-[2-[(2-bromobenzoyl)amino]-4-(methylthio)butanoyl]isonipecotamide Formula: C18H24BrN3O3S MolecularWeight: 442.37046

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCC(CC1)C(=O)N)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CSCCC(C(=O)N1CCC(CC1)C(=O)N)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C18H24BrN3O3S/c1-26-11-8-15(21-17(24)13-4-2-3-5-14(13)19)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)