N-[(4-benzamidophenyl)carbamothioyl]-3-bromanyl-4-hexoxy-benzamide

Systemtic Name: N-[(4-benzamidophenyl)carbamothioyl]-3-bromanyl-4-hexoxy-benzamide Openeye Name: N-[(4-benzamidophenyl)carbamothioyl]-3-bromo-4-hexoxy-benzamide CAS Name: N-[(4-benzamidoanilino)-sulfanylidenemethyl]-3-bromo-4-hexoxybenzamide IUPAC Name: N-[(4-benzamidophenyl)carbamothioyl]-3-bromo-4-hexoxybenzamide Traditional Name: N-[(4-benzamidophenyl)thiocarbamoyl]-3-bromo-4-hexoxy-benzamide Formula: C27H28BrN3O3S MolecularWeight: 554.49852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C27H28BrN3O3S/c1-2-3-4-8-17-34-24-16-11-20(18-23(24)28)26(33)31-27(35)30-22-14-12-21(13-15-22)29-25(32)19-9-6-5-7-10-19/h5-7,9-16,18H,2-4,8,17H2,1H3,(H,29,32)(H2,30,31,33,35)