methyl N'-(1-butylcyclohexyl)-N-(4-cyanophenyl)carbamimidothioate

Systemtic Name: methyl N'-(1-butylcyclohexyl)-N-(4-cyanophenyl)carbamimidothioate Openeye Name: 3-(1-butylcyclohexyl)-1-(4-cyanophenyl)-2-methyl-isothiourea CAS Name: N'-(1-butylcyclohexyl)-N-(4-cyanophenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(1-butylcyclohexyl)-N-(4-cyanophenyl)carbamimidothioate Traditional Name: 3-(1-butylcyclohexyl)-1-(4-cyanophenyl)-2-methyl-isothiourea Formula: C19H27N3S MolecularWeight: 329.50278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCCCC1)N=C(NC2=CC=C(C=C2)C#N)SC

Isomeric SMILES

CCCCC1(CCCCC1)N=C(NC2=CC=C(C=C2)C#N)SC

InChI

InChI=1S/C19H27N3S/c1-3-4-12-19(13-6-5-7-14-19)22-18(23-2)21-17-10-8-16(15-20)9-11-17/h8-11H,3-7,12-14H2,1-2H3,(H,21,22)