methyl 4-[(1-methylbenzimidazol-2-yl)methylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(1-methylbenzimidazol-2-yl)methylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(1-methylbenzimidazol-2-yl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(1-methyl-2-benzimidazolyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-methylbenzimidazol-2-yl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(1-methylbenzimidazol-2-yl)methylthiocarbamoylamino]benzoic acid methyl ester Formula: C18H18N4O2S MolecularWeight: 354.42612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CNC(=S)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CNC(=S)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H18N4O2S/c1-22-15-6-4-3-5-14(15)21-16(22)11-19-18(25)20-13-9-7-12(8-10-13)17(23)24-2/h3-10H,11H2,1-2H3,(H2,19,20,25)