methyl 4-oxidanylidene-4-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(1-phenylethylcarbamoyl)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-14(15-6-4-3-5-7-15)22-20(27)16-8-10-17(11-9-16)23-21(29)24-18(25)12-13-19(26)28-2/h3-11,14H,12-13H2,1-2H3,(H,22,27)(H2,23,24,25,29)