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

Systemtic Name: S-(1H-benzimidazol-2-yl) N-(4-ethylphenyl)carbamothioate Openeye Name: S-(1H-benzimidazol-2-yl) N-(4-ethylphenyl)carbamothioate CAS Name: N-(4-ethylphenyl)carbamothioic acid S-(1H-benzimidazol-2-yl) ester IUPAC Name: S-(1H-benzimidazol-2-yl) N-(4-ethylphenyl)carbamothioate Traditional Name: N-(4-ethylphenyl)thiocarbamic acid S-(1H-benzimidazol-2-yl) ester Formula: C16H15N3OS MolecularWeight: 297.3748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)SC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C16H15N3OS/c1-2-11-7-9-12(10-8-11)17-16(20)21-15-18-13-5-3-4-6-14(13)19-15/h3-10H,2H2,1H3,(H,17,20)(H,18,19)