methyl 4-[(2-propan-2-ylphenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(2-propan-2-ylphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(2-isopropylphenyl)carbamothioylamino]butanoate CAS Name: 4-[[(2-propan-2-ylanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-propan-2-ylphenyl)carbamothioylamino]butanoate Traditional Name: 4-(o-cumenylthiocarbamoylamino)butyric acid methyl ester Formula: C15H22N2O2S MolecularWeight: 294.41238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=S)NCCCC(=O)OC

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C15H22N2O2S/c1-11(2)12-7-4-5-8-13(12)17-15(20)16-10-6-9-14(18)19-3/h4-5,7-8,11H,6,9-10H2,1-3H3,(H2,16,17,20)