methyl 6-[(4-propylphenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(4-propylphenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(4-propylphenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(4-propylanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-propylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(4-propylphenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C17H26N2O2S/c1-3-7-14-9-11-15(12-10-14)19-17(22)18-13-6-4-5-8-16(20)21-2/h9-12H,3-8,13H2,1-2H3,(H2,18,19,22)