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

Systemtic Name: [1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-butan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Openeye Name: 1-(1,3-benzothiazol-2-ylcarbamoyl)propyl 2-phenyl-3H-benzimidazole-5-carboxylate CAS Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid [1-(1,3-benzothiazol-2-ylamino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(1,3-benzothiazol-2-ylamino)-1-oxobutan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Traditional Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid 1-(1,3-benzothiazol-2-ylcarbamoyl)propyl ester Formula: C25H20N4O3S MolecularWeight: 456.5163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=CC=CC=C2S1)OC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)NC1=NC2=CC=CC=C2S1)OC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=CC=C5

InChI

InChI=1S/C25H20N4O3S/c1-2-20(23(30)29-25-28-18-10-6-7-11-21(18)33-25)32-24(31)16-12-13-17-19(14-16)27-22(26-17)15-8-4-3-5-9-15/h3-14,20H,2H2,1H3,(H,26,27)(H,28,29,30)