N-[phenylcarbonyl(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: N-[phenylcarbonyl(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: N-[benzoyl(3-pyridylmethyl)carbamothioyl]-N-(3-pyridylmethyl)benzamide CAS Name: N-[[benzoyl(3-pyridinylmethyl)amino]-sulfanylidenemethyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: N-[benzoyl(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: N-[benzoyl(3-pyridylmethyl)thiocarbamoyl]-N-(3-pyridylmethyl)benzamide Formula: C27H22N4O2S MolecularWeight: 466.55418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N4O2S/c32-25(23-11-3-1-4-12-23)30(19-21-9-7-15-28-17-21)27(34)31(20-22-10-8-16-29-18-22)26(33)24-13-5-2-6-14-24/h1-18H,19-20H2