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

Systemtic Name: 4-heptoxy-N-[(4-methylphenyl)methylcarbamothioyl]benzamide Openeye Name: 4-heptoxy-N-(p-tolylmethylcarbamothioyl)benzamide CAS Name: 4-heptoxy-N-[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[(4-methylphenyl)methylcarbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[(4-methylbenzyl)thiocarbamoyl]benzamide Formula: C23H30N2O2S MolecularWeight: 398.5615

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C

InChI

InChI=1S/C23H30N2O2S/c1-3-4-5-6-7-16-27-21-14-12-20(13-15-21)22(26)25-23(28)24-17-19-10-8-18(2)9-11-19/h8-15H,3-7,16-17H2,1-2H3,(H2,24,25,26,28)