4-(3-methylbutylsulfanyl)-3-nitro-N-[1-[2-oxidanylidene-2-(propylamino)ethyl]piperidin-4-yl]benzamide

Systemtic Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-[1-[2-oxidanylidene-2-(propylamino)ethyl]piperidin-4-yl]benzamide Openeye Name: 4-isopentylsulfanyl-3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]-4-piperidyl]benzamide CAS Name: 4-(3-methylbutylthio)-3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]-4-piperidinyl]benzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide Traditional Name: 4-(isoamylthio)-N-[1-[2-keto-2-(propylamino)ethyl]-4-piperidyl]-3-nitro-benzamide Formula: C22H34N4O4S MolecularWeight: 450.59476

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H34N4O4S/c1-4-10-23-21(27)15-25-11-7-18(8-12-25)24-22(28)17-5-6-20(19(14-17)26(29)30)31-13-9-16(2)3/h5-6,14,16,18H,4,7-13,15H2,1-3H3,(H,23,27)(H,24,28)