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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-24(14-15-7-4-3-5-8-15)20(27)16-9-6-10-17(13-16)22-21(29)23-18(25)11-12-19(26)28-2/h3-10,13H,11-12,14H2,1-2H3,(H2,22,23,25,29)