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

Systemtic Name: [2-[2-[(2-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] (3S)-3-methylpiperidine-1-carbodithioate Openeye Name: [2-[2-(2-nitroanilino)ethylamino]-2-oxo-ethyl] (3S)-3-methylpiperidine-1-carbodithioate CAS Name: (3S)-3-methyl-1-piperidinecarbodithioic acid [2-[2-(2-nitroanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-nitroanilino)ethylamino]-2-oxoethyl] (3S)-3-methylpiperidine-1-carbodithioate Traditional Name: (3S)-3-methylpiperidine-1-carbodithioic acid [2-keto-2-[2-(2-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=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O3S2/c1-13-5-4-10-20(11-13)17(25)26-12-16(22)19-9-8-18-14-6-2-3-7-15(14)21(23)24/h2-3,6-7,13,18H,4-5,8-12H2,1H3,(H,19,22)/t13-/m0/s1