phenethyl 4-oxidanylidene-4-[[4-(propylcarbamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[[4-(propylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[[4-(propylcarbamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-[oxo(propylamino)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[4-(propylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(propylcarbamoyl)phenyl]thiocarbamoylamino]butyric acid phenethyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S/c1-2-15-24-22(29)18-8-10-19(11-9-18)25-23(31)26-20(27)12-13-21(28)30-16-14-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,24,29)(H2,25,26,27,31)