[2-tert-butyl-3-(dimethylcarbamoyl)-6-propylsulfanyl-benzimidazol-5-yl]carbamodithioic acid

Systemtic Name: [2-tert-butyl-3-(dimethylcarbamoyl)-6-propylsulfanyl-benzimidazol-5-yl]carbamodithioic acid Openeye Name: [2-tert-butyl-3-(dimethylcarbamoyl)-6-propylsulfanyl-benzimidazol-5-yl]carbamodithioic acid CAS Name: [2-tert-butyl-3-[dimethylamino(oxo)methyl]-6-(propylthio)-5-benzimidazolyl]carbamodithioic acid IUPAC Name: [2-tert-butyl-3-(dimethylcarbamoyl)-6-propylsulfanylbenzimidazol-5-yl]carbamodithioic acid Traditional Name: [2-tert-butyl-3-(dimethylcarbamoyl)-6-(propylthio)benzimidazol-5-yl]carbamodithioic acid Formula: C18H26N4OS3 MolecularWeight: 410.62024

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=C2C(=C1)N=C(N2C(=O)N(C)C)C(C)(C)C)NC(=S)S

Isomeric SMILES

CCCSC1=C(C=C2C(=C1)N=C(N2C(=O)N(C)C)C(C)(C)C)NC(=S)S

InChI

InChI=1S/C18H26N4OS3/c1-7-8-26-14-10-11-13(9-12(14)20-16(24)25)22(17(23)21(5)6)15(19-11)18(2,3)4/h9-10H,7-8H2,1-6H3,(H2,20,24,25)