methyl 4-oxidanylidene-4-[[4-[(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[[4-[(phenylmethyl)carbamoyl]phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[4-(benzylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[4-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(benzylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(benzylcarbamoyl)phenyl]thiocarbamoylamino]-4-keto-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=C(C=C1)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2

InChI

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