N-[(phenylmethyl)-pyridin-2-yl-carbamothioyl]cyclohexanecarboxamide

Systemtic Name: N-[(phenylmethyl)-pyridin-2-yl-carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[benzyl(2-pyridyl)carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[(phenylmethyl)-(2-pyridinyl)amino]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[benzyl(pyridin-2-yl)carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[benzyl(2-pyridyl)thiocarbamoyl]cyclohexanecarboxamide Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(=S)N(CC2=CC=CC=C2)C3=CC=CC=N3

Isomeric SMILES

C1CCC(CC1)C(=O)NC(=S)N(CC2=CC=CC=C2)C3=CC=CC=N3

InChI

InChI=1S/C20H23N3OS/c24-19(17-11-5-2-6-12-17)22-20(25)23(18-13-7-8-14-21-18)15-16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2,(H,22,24,25)