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

Systemtic Name: (2-tert-butyl-3-ethoxycarbonyl-benzimidazol-5-yl)carbamodithioic acid Openeye Name: (2-tert-butyl-3-ethoxycarbonyl-benzimidazol-5-yl)carbamodithioic acid CAS Name: (2-tert-butyl-3-ethoxycarbonyl-5-benzimidazolyl)carbamodithioic acid IUPAC Name: (2-tert-butyl-3-ethoxycarbonylbenzimidazol-5-yl)carbamodithioic acid Traditional Name: (2-tert-butyl-3-carbethoxy-benzimidazol-5-yl)carbamodithioic acid Formula: C15H19N3O2S2 MolecularWeight: 337.46026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=C(C=CC(=C2)NC(=S)S)N=C1C(C)(C)C

Isomeric SMILES

CCOC(=O)N1C2=C(C=CC(=C2)NC(=S)S)N=C1C(C)(C)C

InChI

InChI=1S/C15H19N3O2S2/c1-5-20-14(19)18-11-8-9(16-13(21)22)6-7-10(11)17-12(18)15(2,3)4/h6-8H,5H2,1-4H3,(H2,16,21,22)