methyl N-(4-cyanophenyl)-N'-(3-methylbutyl)carbamimidothioate

Systemtic Name: methyl N-(4-cyanophenyl)-N'-(3-methylbutyl)carbamimidothioate Openeye Name: 1-(4-cyanophenyl)-3-isopentyl-2-methyl-isothiourea CAS Name: N-(4-cyanophenyl)-N'-(3-methylbutyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-cyanophenyl)-N'-(3-methylbutyl)carbamimidothioate Traditional Name: 1-(4-cyanophenyl)-3-isoamyl-2-methyl-isothiourea Formula: C14H19N3S MolecularWeight: 261.38576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3S/c1-11(2)8-9-16-14(18-3)17-13-6-4-12(10-15)5-7-13/h4-7,11H,8-9H2,1-3H3,(H,16,17)