phenethyl 4-[[3-(dimethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[3-(dimethylcarbamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[3-(dimethylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[dimethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[3-(dimethylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[3-(dimethylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

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