methyl 6-[(4-butyl-2-methyl-phenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(4-butyl-2-methyl-phenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(4-butyl-2-methyl-phenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(4-butyl-2-methylanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-butyl-2-methylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(4-butyl-2-methyl-phenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C19H30N2O2S MolecularWeight: 350.5187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)NCCCCCC(=O)OC)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)NCCCCCC(=O)OC)C

InChI

InChI=1S/C19H30N2O2S/c1-4-5-9-16-11-12-17(15(2)14-16)21-19(24)20-13-8-6-7-10-18(22)23-3/h11-12,14H,4-10,13H2,1-3H3,(H2,20,21,24)