[2-(2,2-dimethylpropylsulfonyl)-6-propylsulfanyl-3H-benzimidazol-5-yl]carbamodithioic acid

Systemtic Name: [2-(2,2-dimethylpropylsulfonyl)-6-propylsulfanyl-3H-benzimidazol-5-yl]carbamodithioic acid Openeye Name: [2-(2,2-dimethylpropylsulfonyl)-6-propylsulfanyl-3H-benzimidazol-5-yl]carbamodithioic acid CAS Name: [2-(2,2-dimethylpropylsulfonyl)-6-(propylthio)-3H-benzimidazol-5-yl]carbamodithioic acid IUPAC Name: [2-(2,2-dimethylpropylsulfonyl)-6-propylsulfanyl-3H-benzimidazol-5-yl]carbamodithioic acid Traditional Name: [2-neopentylsulfonyl-6-(propylthio)-3H-benzimidazol-5-yl]carbamodithioic acid Formula: C16H23N3O2S4 MolecularWeight: 417.63272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=C2C(=C1)N=C(N2)S(=O)(=O)CC(C)(C)C)NC(=S)S

Isomeric SMILES

CCCSC1=C(C=C2C(=C1)N=C(N2)S(=O)(=O)CC(C)(C)C)NC(=S)S

InChI

InChI=1S/C16H23N3O2S4/c1-5-6-24-13-8-11-10(7-12(13)19-15(22)23)17-14(18-11)25(20,21)9-16(2,3)4/h7-8H,5-6,9H2,1-4H3,(H,17,18)(H2,19,22,23)