4-heptoxy-N-[methyl(phenyl)carbamothioyl]benzamide

Systemtic Name: 4-heptoxy-N-[methyl(phenyl)carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[methyl(phenyl)carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[(N-methylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[methyl(phenyl)carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[methyl(phenyl)thiocarbamoyl]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)N(C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2S/c1-3-4-5-6-10-17-26-20-15-13-18(14-16-20)21(25)23-22(27)24(2)19-11-8-7-9-12-19/h7-9,11-16H,3-6,10,17H2,1-2H3,(H,23,25,27)