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

Systemtic Name: [2-tert-butyl-3-(phenylmethyl)-6-propylsulfanyl-benzimidazol-5-yl]carbamodithioic acid Openeye Name: (3-benzyl-2-tert-butyl-6-propylsulfanyl-benzimidazol-5-yl)carbamodithioic acid CAS Name: [2-tert-butyl-3-(phenylmethyl)-6-(propylthio)-5-benzimidazolyl]carbamodithioic acid IUPAC Name: (3-benzyl-2-tert-butyl-6-propylsulfanylbenzimidazol-5-yl)carbamodithioic acid Traditional Name: [3-benzyl-2-tert-butyl-6-(propylthio)benzimidazol-5-yl]carbamodithioic acid Formula: C22H27N3S3 MolecularWeight: 429.66488

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=C2C(=C1)N=C(N2CC3=CC=CC=C3)C(C)(C)C)NC(=S)S

Isomeric SMILES

CCCSC1=C(C=C2C(=C1)N=C(N2CC3=CC=CC=C3)C(C)(C)C)NC(=S)S

InChI

InChI=1S/C22H27N3S3/c1-5-11-28-19-13-16-18(12-17(19)24-21(26)27)25(20(23-16)22(2,3)4)14-15-9-7-6-8-10-15/h6-10,12-13H,5,11,14H2,1-4H3,(H2,24,26,27)