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

Systemtic Name: 4-methylsulfanyl-3-nitro-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-4-yl]benzamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)-4-piperidyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidinyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)-4-piperidyl]-4-(methylthio)-3-nitro-benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NC2CCN(CC2)CC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NC2CCN(CC2)CC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c1-30-19-8-7-15(13-18(19)25(28)29)21(27)23-17-9-11-24(12-10-17)14-20(26)22-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14H2,1H3,(H,22,26)(H,23,27)