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

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperidine-1-carbodithioate Openeye Name: [2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl] 4-methylpiperidine-1-carbodithioate CAS Name: 4-methyl-1-piperidinecarbodithioic acid [2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 4-methylpiperidine-1-carbodithioate Traditional Name: 4-methylpiperidine-1-carbodithioic acid [2-keto-2-(2-methyl-4-nitro-anilino)ethyl] ester Formula: C16H21N3O3S2 MolecularWeight: 367.48624

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1CCN(CC1)C(=S)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H21N3O3S2/c1-11-5-7-18(8-6-11)16(23)24-10-15(20)17-14-4-3-13(19(21)22)9-12(14)2/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,20)