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

Systemtic Name: 4-heptoxy-N-[(4-methoxyphenyl)carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[(4-methoxyphenyl)carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[(4-methoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[(4-methoxyphenyl)carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[(4-methoxyphenyl)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=CC=C(C=C2)OC

Isomeric SMILES

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

InChI

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