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

Systemtic Name: 2-methoxyethyl 4-[[4-[(2-methylphenyl)carbonylamino]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[[(2-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-(o-toluoylamino)phenyl]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C22H25N3O5S/c1-15-5-3-4-6-18(15)21(28)23-16-7-9-17(10-8-16)24-22(31)25-19(26)11-12-20(27)30-14-13-29-2/h3-10H,11-14H2,1-2H3,(H,23,28)(H2,24,25,26,31)