3-bromanyl-N-[(4-heptoxyphenyl)carbamothioyl]-4-propan-2-yloxy-benzamide

Systemtic Name: 3-bromanyl-N-[(4-heptoxyphenyl)carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: 3-bromo-N-[(4-heptoxyphenyl)carbamothioyl]-4-isopropoxy-benzamide CAS Name: 3-bromo-N-[(4-heptoxyanilino)-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: 3-bromo-N-[(4-heptoxyphenyl)carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: 3-bromo-N-[(4-heptoxyphenyl)thiocarbamoyl]-4-isopropoxy-benzamide Formula: C24H31BrN2O3S MolecularWeight: 507.48354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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