methyl 4-(3,3-diphenylpropylcarbamothioylamino)butanoate

Systemtic Name: methyl 4-(3,3-diphenylpropylcarbamothioylamino)butanoate Openeye Name: methyl 4-(3,3-diphenylpropylcarbamothioylamino)butanoate CAS Name: 4-[[(3,3-diphenylpropylamino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-(3,3-diphenylpropylcarbamothioylamino)butanoate Traditional Name: 4-(3,3-diphenylpropylthiocarbamoylamino)butyric acid methyl ester Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NCCC(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCNC(=S)NCCC(C1=CC=CC=C1)C2=CC=CC=C2

InChI

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