3-bromanyl-4-butoxy-N-[(4-hexoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[(4-hexoxyphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[(4-hexoxyphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[(4-hexoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(4-hexoxyphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(4-hexoxyphenyl)thiocarbamoyl]benzamide Formula: C24H31BrN2O3S MolecularWeight: 507.48354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31BrN2O3S/c1-3-5-7-8-16-29-20-12-10-19(11-13-20)26-24(31)27-23(28)18-9-14-22(21(25)17-18)30-15-6-4-2/h9-14,17H,3-8,15-16H2,1-2H3,(H2,26,27,28,31)