N-[1-[2-(3-methyl-4-oxidanyl-phenyl)ethylamino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]-3,4-bis(oxidanyl)benzamide

Systemtic Name: N-[1-[2-(3-methyl-4-oxidanyl-phenyl)ethylamino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]-3,4-bis(oxidanyl)benzamide Openeye Name: 3,4-dihydroxy-N-[2-[2-(4-hydroxy-3-methyl-phenyl)ethylamino]-2-oxo-1-(sulfanylmethyl)ethyl]benzamide CAS Name: 3,4-dihydroxy-N-[1-[2-(4-hydroxy-3-methylphenyl)ethylamino]-3-mercapto-1-oxopropan-2-yl]benzamide IUPAC Name: 3,4-dihydroxy-N-[1-[2-(4-hydroxy-3-methylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]benzamide Traditional Name: 3,4-dihydroxy-N-[2-[2-(4-hydroxy-3-methyl-phenyl)ethylamino]-2-keto-1-(mercaptomethyl)ethyl]benzamide Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCNC(=O)C(CS)NC(=O)C2=CC(=C(C=C2)O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)CCNC(=O)C(CS)NC(=O)C2=CC(=C(C=C2)O)O)O

InChI

InChI=1S/C19H22N2O5S/c1-11-8-12(2-4-15(11)22)6-7-20-19(26)14(10-27)21-18(25)13-3-5-16(23)17(24)9-13/h2-5,8-9,14,22-24,27H,6-7,10H2,1H3,(H,20,26)(H,21,25)