propan-2-yl (NZ)-N-[[[2-acetamido-4-(phenylsulfinyl)phenyl]-propanoyl-amino]-azanyl-methylidene]carbamate

Systemtic Name: propan-2-yl (NZ)-N-[[[2-acetamido-4-(phenylsulfinyl)phenyl]-propanoyl-amino]-azanyl-methylidene]carbamate Openeye Name: isopropyl (NZ)-N-[[2-acetamido-4-(benzenesulfinyl)-N-propanoyl-anilino]-amino-methylene]carbamate CAS Name: (NZ)-N-[[2-acetamido-4-(benzenesulfinyl)-N-(1-oxopropyl)anilino]-aminomethylidene]carbamic acid propan-2-yl ester IUPAC Name: propan-2-yl (NZ)-N-[[2-acetamido-4-(benzenesulfinyl)-N-propanoylanilino]-aminomethylidene]carbamate Traditional Name: (NZ)-N-[[2-acetamido-4-(benzenesulfinyl)-N-propionyl-anilino]-amino-methylene]carbamic acid isopropyl ester Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5S/c1-5-20(28)26(21(23)25-22(29)31-14(2)3)19-12-11-17(13-18(19)24-15(4)27)32(30)16-9-7-6-8-10-16/h6-14H,5H2,1-4H3,(H,24,27)(H2,23,25,29)