methyl 4-[2-[(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)carbonylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[(3-phenyl-2-thioxo-1H-imidazole-4-carbonyl)amino]ethyl]benzoate CAS Name: 4-[2-[[oxo-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)amino]ethyl]benzoate Traditional Name: 4-[2-[(3-phenyl-2-thioxo-4-imidazoline-4-carbonyl)amino]ethyl]benzoic acid methyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=CNC(=S)N2C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=CNC(=S)N2C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O3S/c1-26-19(25)15-9-7-14(8-10-15)11-12-21-18(24)17-13-22-20(27)23(17)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,21,24)(H,22,27)