[2-tert-butyl-3-(phenylmethyl)benzimidazol-5-yl]carbamodithioic acid

Systemtic Name: [2-tert-butyl-3-(phenylmethyl)benzimidazol-5-yl]carbamodithioic acid Openeye Name: (3-benzyl-2-tert-butyl-benzimidazol-5-yl)carbamodithioic acid CAS Name: [2-tert-butyl-3-(phenylmethyl)-5-benzimidazolyl]carbamodithioic acid IUPAC Name: (3-benzyl-2-tert-butylbenzimidazol-5-yl)carbamodithioic acid Traditional Name: (3-benzyl-2-tert-butyl-benzimidazol-5-yl)carbamodithioic acid Formula: C19H21N3S2 MolecularWeight: 355.52014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(N1CC3=CC=CC=C3)C=C(C=C2)NC(=S)S

Isomeric SMILES

CC(C)(C)C1=NC2=C(N1CC3=CC=CC=C3)C=C(C=C2)NC(=S)S

InChI

InChI=1S/C19H21N3S2/c1-19(2,3)17-21-15-10-9-14(20-18(23)24)11-16(15)22(17)12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H2,20,23,24)