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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1CCCCC1)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CSC(=NCC1CCCCC1)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H21N3S/c1-20-16(18-12-14-5-3-2-4-6-14)19-15-9-7-13(11-17)8-10-15/h7-10,14H,2-6,12H2,1H3,(H,18,19)