methyl 4-[[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]amino]-4-oxo-butanoate CAS Name: 4-[[[N-methyl-2-[oxo-(phenethylamino)methyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[methyl-[2-(phenethylcarbamoyl)phenyl]thiocarbamoyl]amino]butyric acid methyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C22H25N3O4S/c1-25(22(30)24-19(26)12-13-20(27)29-2)18-11-7-6-10-17(18)21(28)23-15-14-16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3,(H,23,28)(H,24,26,30)