methyl N-(4-cyanophenyl)-N'-cycloheptyl-carbamimidothioate

Systemtic Name: methyl N-(4-cyanophenyl)-N'-cycloheptyl-carbamimidothioate Openeye Name: 1-(4-cyanophenyl)-3-cycloheptyl-2-methyl-isothiourea CAS Name: N-(4-cyanophenyl)-N'-cycloheptylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-cyanophenyl)-N'-cycloheptylcarbamimidothioate Traditional Name: 1-(4-cyanophenyl)-3-cycloheptyl-2-methyl-isothiourea Formula: C16H21N3S MolecularWeight: 287.42304

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1CCCCCC1)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CSC(=NC1CCCCCC1)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H21N3S/c1-20-16(18-14-6-4-2-3-5-7-14)19-15-10-8-13(12-17)9-11-15/h8-11,14H,2-7H2,1H3,(H,18,19)