4-methyl-N-[(4-methylphenyl)carbonyl-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 4-methyl-N-[(4-methylphenyl)carbonyl-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-methyl-N-[(4-methylbenzoyl)-(3-pyridylmethyl)carbamothioyl]-N-(3-pyridylmethyl)benzamide CAS Name: 4-methyl-N-[[[(4-methylphenyl)-oxomethyl]-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-methyl-N-[(4-methylbenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-methyl-N-[p-toluoyl(3-pyridylmethyl)thiocarbamoyl]-N-(3-pyridylmethyl)benzamide Formula: C29H26N4O2S MolecularWeight: 494.60734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC2=CN=CC=C2)C(=S)N(CC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC2=CN=CC=C2)C(=S)N(CC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C29H26N4O2S/c1-21-7-11-25(12-8-21)27(34)32(19-23-5-3-15-30-17-23)29(36)33(20-24-6-4-16-31-18-24)28(35)26-13-9-22(2)10-14-26/h3-18H,19-20H2,1-2H3