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

Systemtic Name: 2-methoxyethyl 4-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[3-(m-tolylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[(3-methylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-(m-tolylcarbamoyl)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=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCC(=O)OCCOC

InChI

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