methyl N-(4-chlorophenyl)-N'-phenethyl-carbamimidothioate

Systemtic Name: methyl N-(4-chlorophenyl)-N'-phenethyl-carbamimidothioate Openeye Name: 1-(4-chlorophenyl)-2-methyl-3-phenethyl-isothiourea CAS Name: N-(4-chlorophenyl)-N'-phenethylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-chlorophenyl)-N'-phenethylcarbamimidothioate Traditional Name: 1-(4-chlorophenyl)-2-methyl-3-phenethyl-isothiourea Formula: C16H17ClN2S MolecularWeight: 304.83758

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCC1=CC=CC=C1)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CSC(=NCCC1=CC=CC=C1)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H17ClN2S/c1-20-16(19-15-9-7-14(17)8-10-15)18-12-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,19)