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

Systemtic Name: methyl 6-[(4-butylphenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(4-butylphenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(4-butylanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-butylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(4-butylphenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O2S/c1-3-4-8-15-10-12-16(13-11-15)20-18(23)19-14-7-5-6-9-17(21)22-2/h10-13H,3-9,14H2,1-2H3,(H2,19,20,23)