ethyl 3-[(1-methyl-2-sulfanylidene-3H-benzimidazol-5-yl)carbonyl-phenyl-amino]propanoate

Systemtic Name: ethyl 3-[(1-methyl-2-sulfanylidene-3H-benzimidazol-5-yl)carbonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-(N-(1-methyl-2-thioxo-3H-benzimidazole-5-carbonyl)anilino)propanoate CAS Name: 3-(N-[(1-methyl-2-sulfanylidene-3H-benzimidazol-5-yl)-oxomethyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-(1-methyl-2-sulfanylidene-3H-benzimidazole-5-carbonyl)anilino)propanoate Traditional Name: 3-(N-(1-methyl-2-thioxo-3H-benzimidazole-5-carbonyl)anilino)propionic acid ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=S)N3)C

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=S)N3)C

InChI

InChI=1S/C20H21N3O3S/c1-3-26-18(24)11-12-23(15-7-5-4-6-8-15)19(25)14-9-10-17-16(13-14)21-20(27)22(17)2/h4-10,13H,3,11-12H2,1-2H3,(H,21,27)