methyl 6-[(2-propan-2-ylphenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(2-propan-2-ylphenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2-isopropylphenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(2-propan-2-ylanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-propan-2-ylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-(o-cumenylthiocarbamoylamino)hexanoic acid methyl ester Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2S/c1-13(2)14-9-6-7-10-15(14)19-17(22)18-12-8-4-5-11-16(20)21-3/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3,(H2,18,19,22)