[2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperidine-1-carbodithioate

Systemtic Name: [2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperidine-1-carbodithioate Openeye Name: [2-(4-ethoxy-2-nitro-anilino)-2-oxo-ethyl] 4-methylpiperidine-1-carbodithioate CAS Name: 4-methyl-1-piperidinecarbodithioic acid [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 4-methylpiperidine-1-carbodithioate Traditional Name: 4-methylpiperidine-1-carbodithioic acid [2-(4-ethoxy-2-nitro-anilino)-2-keto-ethyl] ester Formula: C17H23N3O4S2 MolecularWeight: 397.51222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CSC(=S)N2CCC(CC2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CSC(=S)N2CCC(CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O4S2/c1-3-24-13-4-5-14(15(10-13)20(22)23)18-16(21)11-26-17(25)19-8-6-12(2)7-9-19/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,18,21)