[1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl] 3H-benzimidazole-5-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: 1-[(4-phenylthiazol-2-yl)carbamoyl]propyl 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid [1-oxo-1-[(4-phenyl-2-thiazolyl)amino]butan-2-yl] ester IUPAC Name: [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid 1-[(4-phenylthiazol-2-yl)carbamoyl]propyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C21H18N4O3S/c1-2-18(28-20(27)14-8-9-15-16(10-14)23-12-22-15)19(26)25-21-24-17(11-29-21)13-6-4-3-5-7-13/h3-12,18H,2H2,1H3,(H,22,23)(H,24,25,26)