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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC=CS1)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=NC=CS1)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4

InChI

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