3-bromanyl-N-(dipropylcarbamothioyl)-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-(dipropylcarbamothioyl)-4-hexoxy-benzamide Openeye Name: 3-bromo-N-(dipropylcarbamothioyl)-4-hexoxy-benzamide CAS Name: 3-bromo-N-[(dipropylamino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-(dipropylcarbamothioyl)-4-hexoxybenzamide Traditional Name: 3-bromo-N-(dipropylthiocarbamoyl)-4-hexoxy-benzamide Formula: C20H31BrN2O2S MolecularWeight: 443.44134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(CCC)CCC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(CCC)CCC)Br

InChI

InChI=1S/C20H31BrN2O2S/c1-4-7-8-9-14-25-18-11-10-16(15-17(18)21)19(24)22-20(26)23(12-5-2)13-6-3/h10-11,15H,4-9,12-14H2,1-3H3,(H,22,24,26)