methyl 4-[[phenyl-(phenylmethyl)amino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[phenyl-(phenylmethyl)amino]carbamothioylamino]butanoate Openeye Name: methyl 4-[(N-benzylanilino)carbamothioylamino]butanoate CAS Name: 4-[[[2-phenyl-2-(phenylmethyl)hydrazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(N-benzylanilino)carbamothioylamino]butanoate Traditional Name: 4-[(N-benzylanilino)thiocarbamoylamino]butyric acid methyl ester Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NN(CC1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCNC(=S)NN(CC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C19H23N3O2S/c1-24-18(23)13-8-14-20-19(25)21-22(17-11-6-3-7-12-17)15-16-9-4-2-5-10-16/h2-7,9-12H,8,13-15H2,1H3,(H2,20,21,25)