6-[(4-methoxyphenyl)carbothioylamino]hexanoate

Systemtic Name: 6-[(4-methoxyphenyl)carbothioylamino]hexanoate Openeye Name: 6-[(4-methoxybenzenecarbothioyl)amino]hexanoate CAS Name: 6-[[(4-methoxyphenyl)-sulfanylidenemethyl]amino]hexanoate IUPAC Name: 6-[(4-methoxybenzenecarbothioyl)amino]hexanoate Traditional Name: 6-[(4-methoxythiobenzoyl)amino]hexanoate Formula: C14H18NO3S- MolecularWeight: 280.36262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=S)NCCCCCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=S)NCCCCCC(=O)[O-]

InChI

InChI=1S/C14H19NO3S/c1-18-12-8-6-11(7-9-12)14(19)15-10-4-2-3-5-13(16)17/h6-9H,2-5,10H2,1H3,(H,15,19)(H,16,17)/p-1