methyl 4-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[(N-ethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-[ethyl(phenyl)carbamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-3-24(17-10-5-4-6-11-17)20(27)15-8-7-9-16(14-15)22-21(29)23-18(25)12-13-19(26)28-2/h4-11,14H,3,12-13H2,1-2H3,(H2,22,23,25,29)