ethanedioic acid; ethyl N-(4-chlorophenyl)-N'-prop-2-enyl-carbamimidothioate

Systemtic Name: ethanedioic acid; ethyl N-(4-chlorophenyl)-N'-prop-2-enyl-carbamimidothioate Openeye Name: 3-allyl-1-(4-chlorophenyl)-2-ethyl-isothiourea; oxalic acid CAS Name: N-(4-chlorophenyl)-N'-prop-2-enylcarbamimidothioic acid ethyl ester; oxalic acid IUPAC Name: ethyl N-(4-chlorophenyl)-N'-prop-2-enylcarbamimidothioate; oxalic acid Traditional Name: 3-allyl-1-(4-chlorophenyl)-2-ethyl-isothiourea; oxalic acid Formula: C14H17ClN2O4S MolecularWeight: 344.81378

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NCC=C)NC1=CC=C(C=C1)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCSC(=NCC=C)NC1=CC=C(C=C1)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H15ClN2S.C2H2O4/c1-3-9-14-12(16-4-2)15-11-7-5-10(13)6-8-11;3-1(4)2(5)6/h3,5-8H,1,4,9H2,2H3,(H,14,15);(H,3,4)(H,5,6)