prop-2-enyl N,N-dibutyl-N'-phenyl-carbamimidothioate chloride

Systemtic Name: prop-2-enyl N,N-dibutyl-N'-phenyl-carbamimidothioate chloride Openeye Name: 2-allyl-1,1-dibutyl-3-phenyl-isothiourea chloride CAS Name: N,N-dibutyl-N'-phenylcarbamimidothioic acid prop-2-enyl ester chloride IUPAC Name: prop-2-enyl N,N-dibutyl-N'-phenylcarbamimidothioate chloride Traditional Name: 2-allyl-1,1-dibutyl-3-phenyl-isothiourea chloride Formula: C18H28ClN2S- MolecularWeight: 339.94632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=NC1=CC=CC=C1)SCC=C.[Cl-]

Isomeric SMILES

CCCCN(CCCC)C(=NC1=CC=CC=C1)SCC=C.[Cl-]

InChI

InChI=1S/C18H28N2S.ClH/c1-4-7-14-20(15-8-5-2)18(21-16-6-3)19-17-12-10-9-11-13-17;/h6,9-13H,3-5,7-8,14-16H2,1-2H3;1H/p-1