4-heptoxy-N-[(4-methylphenyl)carbamothioyl]benzamide

Systemtic Name: 4-heptoxy-N-[(4-methylphenyl)carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-(p-tolylcarbamothioyl)benzamide CAS Name: 4-heptoxy-N-[(4-methylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[(4-methylphenyl)carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-(p-tolylthiocarbamoyl)benzamide Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C

InChI

InChI=1S/C22H28N2O2S/c1-3-4-5-6-7-16-26-20-14-10-18(11-15-20)21(25)24-22(27)23-19-12-8-17(2)9-13-19/h8-15H,3-7,16H2,1-2H3,(H2,23,24,25,27)