4-heptoxy-N-[(3-methylphenyl)carbamothioyl]benzamide

Systemtic Name: 4-heptoxy-N-[(3-methylphenyl)carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-(m-tolylcarbamothioyl)benzamide CAS Name: 4-heptoxy-N-[(3-methylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[(3-methylphenyl)carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-(m-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=CC(=C2)C

Isomeric SMILES

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

InChI

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