methyl N-(4-cyanophenyl)-N'-(2,4,4-trimethylpentan-2-yl)carbamimidothioate

Systemtic Name: methyl N-(4-cyanophenyl)-N'-(2,4,4-trimethylpentan-2-yl)carbamimidothioate Openeye Name: 1-(4-cyanophenyl)-2-methyl-3-(1,1,3,3-tetramethylbutyl)isothiourea CAS Name: N-(4-cyanophenyl)-N'-(2,4,4-trimethylpentan-2-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-cyanophenyl)-N'-(2,4,4-trimethylpentan-2-yl)carbamimidothioate Traditional Name: 1-(4-cyanophenyl)-2-methyl-3-(1,1,3,3-tetramethylbutyl)isothiourea Formula: C17H25N3S MolecularWeight: 303.4655

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3S/c1-16(2,3)12-17(4,5)20-15(21-6)19-14-9-7-13(11-18)8-10-14/h7-10H,12H2,1-6H3,(H,19,20)