[2-[[4-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] (3S)-3-methylpiperidine-1-carbodithioate

Systemtic Name: [2-[[4-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] (3S)-3-methylpiperidine-1-carbodithioate Openeye Name: [2-[4-(dimethylsulfamoyl)anilino]-2-oxo-ethyl] (3S)-3-methylpiperidine-1-carbodithioate CAS Name: (3S)-3-methyl-1-piperidinecarbodithioic acid [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] (3S)-3-methylpiperidine-1-carbodithioate Traditional Name: (3S)-3-methylpiperidine-1-carbodithioic acid [2-[4-(dimethylsulfamoyl)anilino]-2-keto-ethyl] ester Formula: C17H25N3O3S3 MolecularWeight: 415.5937

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=S)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N(C)C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=S)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N(C)C

InChI

InChI=1S/C17H25N3O3S3/c1-13-5-4-10-20(11-13)17(24)25-12-16(21)18-14-6-8-15(9-7-14)26(22,23)19(2)3/h6-9,13H,4-5,10-12H2,1-3H3,(H,18,21)/t13-/m0/s1