[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperidine-1-carbodithioate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylpiperidine-1-carbodithioate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] 4-methylpiperidine-1-carbodithioate CAS Name: 4-methyl-1-piperidinecarbodithioic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 4-methylpiperidine-1-carbodithioate Traditional Name: 4-methylpiperidine-1-carbodithioic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C16H21N3O4S2 MolecularWeight: 383.48564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S2/c1-11-5-7-18(8-6-11)16(24)25-10-15(20)17-13-9-12(19(21)22)3-4-14(13)23-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,20)