methyl 4-[[phenethyl-(phenylmethyl)carbamothioyl]amino]butanoate

Systemtic Name: methyl 4-[[phenethyl-(phenylmethyl)carbamothioyl]amino]butanoate Openeye Name: methyl 4-[[benzyl(phenethyl)carbamothioyl]amino]butanoate CAS Name: 4-[[[phenethyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[benzyl(phenethyl)carbamothioyl]amino]butanoate Traditional Name: 4-[[benzyl(phenethyl)thiocarbamoyl]amino]butyric acid methyl ester Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)N(CCC1=CC=CC=C1)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCNC(=S)N(CCC1=CC=CC=C1)CC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O2S/c1-25-20(24)13-8-15-22-21(26)23(17-19-11-6-3-7-12-19)16-14-18-9-4-2-5-10-18/h2-7,9-12H,8,13-17H2,1H3,(H,22,26)