methyl N-(4-tert-butylphenyl)-N'-(pyridin-3-ylmethyl)carbamimidothioate

Systemtic Name: methyl N-(4-tert-butylphenyl)-N'-(pyridin-3-ylmethyl)carbamimidothioate Openeye Name: 1-(4-tert-butylphenyl)-2-methyl-3-(3-pyridylmethyl)isothiourea CAS Name: N-(4-tert-butylphenyl)-N'-(3-pyridinylmethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-tert-butylphenyl)-N'-(pyridin-3-ylmethyl)carbamimidothioate Traditional Name: 1-(4-tert-butylphenyl)-2-methyl-3-(3-pyridylmethyl)isothiourea Formula: C18H23N3S MolecularWeight: 313.46032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=NCC2=CN=CC=C2)SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=NCC2=CN=CC=C2)SC

InChI

InChI=1S/C18H23N3S/c1-18(2,3)15-7-9-16(10-8-15)21-17(22-4)20-13-14-6-5-11-19-12-14/h5-12H,13H2,1-4H3,(H,20,21)