(2-tert-butyl-3-ethoxycarbonyl-6-propylsulfanyl-benzimidazol-5-yl)carbamodithioic acid

Systemtic Name: (2-tert-butyl-3-ethoxycarbonyl-6-propylsulfanyl-benzimidazol-5-yl)carbamodithioic acid Openeye Name: (2-tert-butyl-3-ethoxycarbonyl-6-propylsulfanyl-benzimidazol-5-yl)carbamodithioic acid CAS Name: [2-tert-butyl-3-ethoxycarbonyl-6-(propylthio)-5-benzimidazolyl]carbamodithioic acid IUPAC Name: (2-tert-butyl-3-ethoxycarbonyl-6-propylsulfanylbenzimidazol-5-yl)carbamodithioic acid Traditional Name: [2-tert-butyl-3-carbethoxy-6-(propylthio)benzimidazol-5-yl]carbamodithioic acid Formula: C18H25N3O2S3 MolecularWeight: 411.605

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O2S3/c1-6-8-26-14-10-11-13(9-12(14)20-16(24)25)21(17(22)23-7-2)15(19-11)18(3,4)5/h9-10H,6-8H2,1-5H3,(H2,20,24,25)