[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] (3S)-3-methylpiperidine-1-carbodithioate

Systemtic Name: [2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] (3S)-3-methylpiperidine-1-carbodithioate Openeye Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl] (3S)-3-methylpiperidine-1-carbodithioate CAS Name: (3S)-3-methyl-1-piperidinecarbodithioic acid [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] (3S)-3-methylpiperidine-1-carbodithioate Traditional Name: (3S)-3-methylpiperidine-1-carbodithioic acid [2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl] ester Formula: C17H24N4O3S2 MolecularWeight: 396.52746

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=S)SCC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C(=S)SCC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O3S2/c1-13-3-2-10-20(11-13)17(25)26-12-16(22)19-9-8-18-14-4-6-15(7-5-14)21(23)24/h4-7,13,18H,2-3,8-12H2,1H3,(H,19,22)/t13-/m0/s1