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

Systemtic Name: N-[(3-benzamidophenyl)carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[(3-benzamidophenyl)carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[(3-benzamidoanilino)-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[(3-benzamidophenyl)carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[(3-benzamidophenyl)thiocarbamoyl]-4-heptoxy-benzamide Formula: C28H31N3O3S MolecularWeight: 489.62904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H31N3O3S/c1-2-3-4-5-9-19-34-25-17-15-22(16-18-25)27(33)31-28(35)30-24-14-10-13-23(20-24)29-26(32)21-11-7-6-8-12-21/h6-8,10-18,20H,2-5,9,19H2,1H3,(H,29,32)(H2,30,31,33,35)