methyl 4-[[methyl-[(4-methylphenyl)methyl]carbamothioyl]amino]butanoate

Systemtic Name: methyl 4-[[methyl-[(4-methylphenyl)methyl]carbamothioyl]amino]butanoate Openeye Name: methyl 4-[[methyl(p-tolylmethyl)carbamothioyl]amino]butanoate CAS Name: 4-[[[methyl-[(4-methylphenyl)methyl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[methyl-[(4-methylphenyl)methyl]carbamothioyl]amino]butanoate Traditional Name: 4-[[methyl-(4-methylbenzyl)thiocarbamoyl]amino]butyric acid methyl ester Formula: C15H22N2O2S MolecularWeight: 294.41238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C)C(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN(C)C(=S)NCCCC(=O)OC

InChI

InChI=1S/C15H22N2O2S/c1-12-6-8-13(9-7-12)11-17(2)15(20)16-10-4-5-14(18)19-3/h6-9H,4-5,10-11H2,1-3H3,(H,16,20)