4-tert-butyl-N-[N'-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-(3-methylsulfanylphenyl)carbamimidoyl]benzamide

Systemtic Name: 4-tert-butyl-N-[N'-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-(3-methylsulfanylphenyl)carbamimidoyl]benzamide Openeye Name: 4-tert-butyl-N-[N'-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-(3-methylsulfanylphenyl)carbamimidoyl]benzamide CAS Name: 4-tert-butyl-N-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methylimino-[3-(methylthio)anilino]methyl]benzamide IUPAC Name: 4-tert-butyl-N-[N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(3-methylsulfanylphenyl)carbamimidoyl]benzamide Traditional Name: 4-tert-butyl-N-[N'-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-[3-(methylthio)phenyl]amidino]benzamide Formula: C27H35N5OS MolecularWeight: 477.6647

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CN=C(NC2=CC(=CC=C2)SC)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CN=C(NC2=CC(=CC=C2)SC)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C27H35N5OS/c1-8-32-19(3)24(18(2)31-32)17-28-26(29-22-10-9-11-23(16-22)34-7)30-25(33)20-12-14-21(15-13-20)27(4,5)6/h9-16H,8,17H2,1-7H3,(H2,28,29,30,33)