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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C

InChI

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