(phenylmethyl) N-[1-oxidanylidene-3-phenyl-1-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]amino]propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-oxidanylidene-3-phenyl-1-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]amino]propan-2-yl]carbamate Openeye Name: benzyl N-[1-benzyl-2-oxo-2-[4-(3-pyridylmethylsulfanyl)anilino]ethyl]carbamate CAS Name: N-[1-oxo-3-phenyl-1-[4-(3-pyridinylmethylthio)anilino]propan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-oxo-3-phenyl-1-[4-(pyridin-3-ylmethylsulfanyl)anilino]propan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-keto-2-[4-(3-pyridylmethylthio)anilino]ethyl]carbamic acid benzyl ester Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H27N3O3S/c33-28(31-25-13-15-26(16-14-25)36-21-24-12-7-17-30-19-24)27(18-22-8-3-1-4-9-22)32-29(34)35-20-23-10-5-2-6-11-23/h1-17,19,27H,18,20-21H2,(H,31,33)(H,32,34)