1-[4-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one CAS Name: 1-[4-[2-(2-methyl-1-piperidinyl)-2-oxoethyl]-1-piperazinyl]-2-[(4-nitrophenyl)thio]-1-propanone IUPAC Name: 1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanylpropan-1-one Traditional Name: 1-[4-[2-keto-2-(2-methylpiperidino)ethyl]piperazino]-2-[(4-nitrophenyl)thio]propan-1-one Formula: C21H30N4O4S MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CN2CCN(CC2)C(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C(=O)CN2CCN(CC2)C(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H30N4O4S/c1-16-5-3-4-10-24(16)20(26)15-22-11-13-23(14-12-22)21(27)17(2)30-19-8-6-18(7-9-19)25(28)29/h6-9,16-17H,3-5,10-15H2,1-2H3