4-heptoxy-N-[(5-methyl-2-oxidanyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 4-heptoxy-N-[(5-methyl-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[(2-hydroxy-5-methyl-phenyl)carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[(2-hydroxy-5-methylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[(2-hydroxy-5-methyl-phenyl)thiocarbamoyl]benzamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-3-4-5-6-7-14-27-18-11-9-17(10-12-18)21(26)24-22(28)23-19-15-16(2)8-13-20(19)25/h8-13,15,25H,3-7,14H2,1-2H3,(H2,23,24,26,28)