methyl (NZ)-N-[[[2-acetamido-5-(phenylsulfinyl)phenyl]-butanoyl-amino]-azanyl-methylidene]carbamate

Systemtic Name: methyl (NZ)-N-[[[2-acetamido-5-(phenylsulfinyl)phenyl]-butanoyl-amino]-azanyl-methylidene]carbamate Openeye Name: methyl (NZ)-N-[[2-acetamido-5-(benzenesulfinyl)-N-butanoyl-anilino]-amino-methylene]carbamate CAS Name: (NZ)-N-[[2-acetamido-5-(benzenesulfinyl)-N-(1-oxobutyl)anilino]-aminomethylidene]carbamic acid methyl ester IUPAC Name: methyl (NZ)-N-[[2-acetamido-5-(benzenesulfinyl)-N-butanoylanilino]-aminomethylidene]carbamate Traditional Name: (NZ)-N-[[2-acetamido-5-(benzenesulfinyl)-N-butyryl-anilino]-amino-methylene]carbamic acid methyl ester Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5S/c1-4-8-19(27)25(20(22)24-21(28)30-3)18-13-16(11-12-17(18)23-14(2)26)31(29)15-9-6-5-7-10-15/h5-7,9-13H,4,8H2,1-3H3,(H,23,26)(H2,22,24,28)