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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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