N-[(4-benzamido-3-methyl-phenyl)carbamothioyl]-4-butoxy-benzamide

Systemtic Name: N-[(4-benzamido-3-methyl-phenyl)carbamothioyl]-4-butoxy-benzamide Openeye Name: N-[(4-benzamido-3-methyl-phenyl)carbamothioyl]-4-butoxy-benzamide CAS Name: N-[(4-benzamido-3-methylanilino)-sulfanylidenemethyl]-4-butoxybenzamide IUPAC Name: N-[(4-benzamido-3-methylphenyl)carbamothioyl]-4-butoxybenzamide Traditional Name: N-[(4-benzamido-3-methyl-phenyl)thiocarbamoyl]-4-butoxy-benzamide Formula: C26H27N3O3S MolecularWeight: 461.57588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C26H27N3O3S/c1-3-4-16-32-22-13-10-20(11-14-22)25(31)29-26(33)27-21-12-15-23(18(2)17-21)28-24(30)19-8-6-5-7-9-19/h5-15,17H,3-4,16H2,1-2H3,(H,28,30)(H2,27,29,31,33)