methyl N-(4-cyanophenyl)-N'-(2-methylbutan-2-yl)carbamimidothioate

Systemtic Name: methyl N-(4-cyanophenyl)-N'-(2-methylbutan-2-yl)carbamimidothioate Openeye Name: 1-(4-cyanophenyl)-3-(1,1-dimethylpropyl)-2-methyl-isothiourea CAS Name: N-(4-cyanophenyl)-N'-(2-methylbutan-2-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-cyanophenyl)-N'-(2-methylbutan-2-yl)carbamimidothioate Traditional Name: 3-tert-amyl-1-(4-cyanophenyl)-2-methyl-isothiourea Formula: C14H19N3S MolecularWeight: 261.38576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N=C(NC1=CC=C(C=C1)C#N)SC

Isomeric SMILES

CCC(C)(C)N=C(NC1=CC=C(C=C1)C#N)SC

InChI

InChI=1S/C14H19N3S/c1-5-14(2,3)17-13(18-4)16-12-8-6-11(10-15)7-9-12/h6-9H,5H2,1-4H3,(H,16,17)