ethyl 2-[(4-butylphenyl)carbamothioylamino]hexanoate

Systemtic Name: ethyl 2-[(4-butylphenyl)carbamothioylamino]hexanoate Openeye Name: ethyl 2-[(4-butylphenyl)carbamothioylamino]hexanoate CAS Name: 2-[[(4-butylanilino)-sulfanylidenemethyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-butylphenyl)carbamothioylamino]hexanoate Traditional Name: 2-[(4-butylphenyl)thiocarbamoylamino]hexanoic acid ethyl ester Formula: C19H30N2O2S MolecularWeight: 350.5187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC(CCCC)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC(CCCC)C(=O)OCC

InChI

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