methyl (NE)-N-[azanyl-[[2-benzamido-5-(phenylsulfinyl)phenyl]-propanoyl-amino]methylidene]carbamate

Systemtic Name: methyl (NE)-N-[azanyl-[[2-benzamido-5-(phenylsulfinyl)phenyl]-propanoyl-amino]methylidene]carbamate Openeye Name: methyl (NE)-N-[amino-[2-benzamido-5-(benzenesulfinyl)-N-propanoyl-anilino]methylene]carbamate CAS Name: (NE)-N-[amino-[2-benzamido-5-(benzenesulfinyl)-N-(1-oxopropyl)anilino]methylidene]carbamic acid methyl ester IUPAC Name: methyl (NE)-N-[amino-[2-benzamido-5-(benzenesulfinyl)-N-propanoylanilino]methylidene]carbamate Traditional Name: (NE)-N-[amino-[2-benzamido-5-(benzenesulfinyl)-N-propionyl-anilino]methylene]carbamic acid methyl ester Formula: C25H24N4O5S MolecularWeight: 492.54686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=C(C=CC(=C1)S(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=NC(=O)OC)N

Isomeric SMILES

CCC(=O)N(C1=C(C=CC(=C1)S(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)/C(=N/C(=O)OC)/N

InChI

InChI=1S/C25H24N4O5S/c1-3-22(30)29(24(26)28-25(32)34-2)21-16-19(35(33)18-12-8-5-9-13-18)14-15-20(21)27-23(31)17-10-6-4-7-11-17/h4-16H,3H2,1-2H3,(H,27,31)(H2,26,28,32)