[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate CAS Name: 3-(1-phenyl-2-benzimidazolyl)propanoic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-phenylbenzimidazol-2-yl)propionic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2CCC(=O)OCC(=O)NC4=C(C=CS4)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2CCC(=O)OCC(=O)NC4=C(C=CS4)C(=O)N

InChI

InChI=1S/C23H20N4O4S/c24-22(30)16-12-13-32-23(16)26-20(28)14-31-21(29)11-10-19-25-17-8-4-5-9-18(17)27(19)15-6-2-1-3-7-15/h1-9,12-13H,10-11,14H2,(H2,24,30)(H,26,28)