5-bromanyl-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-5-bromo-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-5-bromo-2-phenethyloxybenzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-5-bromo-2-phenethyloxy-benzamide Formula: C26H24BrN3O2S MolecularWeight: 522.45666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)N(CCC#N)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)N(CCC#N)CC3=CC=CC=C3

InChI

InChI=1S/C26H24BrN3O2S/c27-22-12-13-24(32-17-14-20-8-3-1-4-9-20)23(18-22)25(31)29-26(33)30(16-7-15-28)19-21-10-5-2-6-11-21/h1-6,8-13,18H,7,14,16-17,19H2,(H,29,31,33)