S-(4-tert-butylphenyl) N-(1H-benzimidazol-2-yl)carbamothioate

Systemtic Name: S-(4-tert-butylphenyl) N-(1H-benzimidazol-2-yl)carbamothioate Openeye Name: S-(4-tert-butylphenyl) N-(1H-benzimidazol-2-yl)carbamothioate CAS Name: N-(1H-benzimidazol-2-yl)carbamothioic acid S-(4-tert-butylphenyl) ester IUPAC Name: S-(4-tert-butylphenyl) N-(1H-benzimidazol-2-yl)carbamothioate Traditional Name: N-(1H-benzimidazol-2-yl)thiocarbamic acid S-(4-tert-butylphenyl) ester Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC(=O)NC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC(=O)NC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H19N3OS/c1-18(2,3)12-8-10-13(11-9-12)23-17(22)21-16-19-14-6-4-5-7-15(14)20-16/h4-11H,1-3H3,(H2,19,20,21,22)