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

Systemtic Name: phenethyl 4-[[4-methyl-3-(propanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[4-methyl-3-(propanoylamino)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[4-methyl-3-(propanoylamino)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(4-methyl-3-propionamido-phenyl)thiocarbamoylamino]butyric acid phenethyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)C

InChI

InChI=1S/C23H27N3O4S/c1-3-20(27)25-19-15-18(10-9-16(19)2)24-23(31)26-21(28)11-12-22(29)30-14-13-17-7-5-4-6-8-17/h4-10,15H,3,11-14H2,1-2H3,(H,25,27)(H2,24,26,28,31)