ethyl 4-[[4-[(2-methylphenyl)carbonylamino]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[4-[(2-methylphenyl)carbonylamino]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[[(2-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-(o-toluoylamino)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=C(C=C1)NC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C

InChI

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