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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

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