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

Systemtic Name: 2-methoxyethyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[(N-methylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-[methyl(phenyl)carbamoyl]phenyl]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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