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

Systemtic Name: ethyl 4-oxidanylidene-4-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: ethyl 4-oxo-4-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(1-phenylethylcarbamoyl)phenyl]thiocarbamoylamino]butyric acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-3-29-20(27)14-13-19(26)25-22(30)24-18-11-9-17(10-12-18)21(28)23-15(2)16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3,(H,23,28)(H2,24,25,26,30)