(phenylmethyl) 4-(4,5-diphenyl-1,3-thiazol-2-yl)-3-oxidanylidene-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(4,5-diphenyl-1,3-thiazol-2-yl)-3-oxidanylidene-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-(4,5-diphenylthiazol-2-yl)-3-oxo-1,4-diazepane-1-carboxylate CAS Name: 4-(4,5-diphenyl-2-thiazolyl)-3-oxo-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4,5-diphenyl-1,3-thiazol-2-yl)-3-oxo-1,4-diazepane-1-carboxylate Traditional Name: 4-(4,5-diphenylthiazol-2-yl)-3-keto-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C28H25N3O3S MolecularWeight: 483.5814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N(C1)C2=NC(=C(S2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(=O)N(C1)C2=NC(=C(S2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C28H25N3O3S/c32-24-19-30(28(33)34-20-21-11-4-1-5-12-21)17-10-18-31(24)27-29-25(22-13-6-2-7-14-22)26(35-27)23-15-8-3-9-16-23/h1-9,11-16H,10,17-20H2