methyl 4-[[[4-(phenoxymethyl)phenyl]carbonylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[[4-(phenoxymethyl)phenyl]carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[4-(phenoxymethyl)benzoyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[oxo-[4-(phenoxymethyl)phenyl]methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[4-(phenoxymethyl)benzoyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[4-(phenoxymethyl)benzoyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCNC(=S)NNC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2

InChI

InChI=1S/C20H23N3O4S/c1-26-18(24)8-5-13-21-20(28)23-22-19(25)16-11-9-15(10-12-16)14-27-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,22,25)(H2,21,23,28)