phenethyl 4-[(5-methyl-2-oxidanyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(5-methyl-2-oxidanyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(2-hydroxy-5-methyl-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-hydroxy-5-methylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(2-hydroxy-5-methylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2-hydroxy-5-methyl-phenyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)O)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O4S/c1-14-7-8-17(23)16(13-14)21-20(27)22-18(24)9-10-19(25)26-12-11-15-5-3-2-4-6-15/h2-8,13,23H,9-12H2,1H3,(H2,21,22,24,27)