3-bromanyl-N-(hexadecylcarbamothioyl)-4-propan-2-yloxy-benzamide

Systemtic Name: 3-bromanyl-N-(hexadecylcarbamothioyl)-4-propan-2-yloxy-benzamide Openeye Name: 3-bromo-N-(hexadecylcarbamothioyl)-4-isopropoxy-benzamide CAS Name: 3-bromo-N-[(hexadecylamino)-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: 3-bromo-N-(hexadecylcarbamothioyl)-4-propan-2-yloxybenzamide Traditional Name: 3-bromo-N-(cetylthiocarbamoyl)-4-isopropoxy-benzamide Formula: C27H45BrN2O2S MolecularWeight: 541.6274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=CC(=C(C=C1)OC(C)C)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)NC(=O)C1=CC(=C(C=C1)OC(C)C)Br

InChI

InChI=1S/C27H45BrN2O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-27(33)30-26(31)23-18-19-25(24(28)21-23)32-22(2)3/h18-19,21-22H,4-17,20H2,1-3H3,(H2,29,30,31,33)