[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] (2R,6R)-2,6-dimethylpiperidine-1-carbodithioate

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] (2R,6R)-2,6-dimethylpiperidine-1-carbodithioate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] (2R,6R)-2,6-dimethylpiperidine-1-carbodithioate CAS Name: (2R,6R)-2,6-dimethyl-1-piperidinecarbodithioic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] (2R,6R)-2,6-dimethylpiperidine-1-carbodithioate Traditional Name: (2R,6R)-2,6-dimethylpiperidine-1-carbodithioic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C17H23N3O2S2 MolecularWeight: 365.51342

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=S)SCC(=O)NC2=CC=C(C=C2)C(=O)N)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=S)SCC(=O)NC2=CC=C(C=C2)C(=O)N)C

InChI

InChI=1S/C17H23N3O2S2/c1-11-4-3-5-12(2)20(11)17(23)24-10-15(21)19-14-8-6-13(7-9-14)16(18)22/h6-9,11-12H,3-5,10H2,1-2H3,(H2,18,22)(H,19,21)/t11-,12-/m1/s1