butan-2-yl (NE)-N-[[[2-acetamido-5-(phenylsulfinyl)phenyl]-propanoyl-amino]-azanyl-methylidene]carbamate

Systemtic Name: butan-2-yl (NE)-N-[[[2-acetamido-5-(phenylsulfinyl)phenyl]-propanoyl-amino]-azanyl-methylidene]carbamate Openeye Name: sec-butyl (NE)-N-[[2-acetamido-5-(benzenesulfinyl)-N-propanoyl-anilino]-amino-methylene]carbamate CAS Name: (NE)-N-[[2-acetamido-5-(benzenesulfinyl)-N-(1-oxopropyl)anilino]-aminomethylidene]carbamic acid butan-2-yl ester IUPAC Name: butan-2-yl (NE)-N-[[2-acetamido-5-(benzenesulfinyl)-N-propanoylanilino]-aminomethylidene]carbamate Traditional Name: (NE)-N-[[2-acetamido-5-(benzenesulfinyl)-N-propionyl-anilino]-amino-methylene]carbamic acid sec-butyl ester Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O5S/c1-5-15(3)32-23(30)26-22(24)27(21(29)6-2)20-14-18(12-13-19(20)25-16(4)28)33(31)17-10-8-7-9-11-17/h7-15H,5-6H2,1-4H3,(H,25,28)(H2,24,26,30)