methyl 4-[(3-propan-2-ylphenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(3-propan-2-ylphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(3-isopropylphenyl)carbamothioylamino]butanoate CAS Name: 4-[[(3-propan-2-ylanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3-propan-2-ylphenyl)carbamothioylamino]butanoate Traditional Name: 4-(m-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=C1)NC(=S)NCCCC(=O)OC

Isomeric SMILES

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

InChI

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