methyl 4-oxidanylidene-4-[[3-(2-phenylethanoylamino)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[[3-(2-phenylethanoylamino)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[3-[(2-phenylacetyl)amino]phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H21N3O4S/c1-27-19(26)11-10-17(24)23-20(28)22-16-9-5-8-15(13-16)21-18(25)12-14-6-3-2-4-7-14/h2-9,13H,10-12H2,1H3,(H,21,25)(H2,22,23,24,28)