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

Systemtic Name: 5-bromanyl-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-5-bromo-2-isobutoxy-benzamide CAS Name: 5-bromo-N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-5-bromo-2-(2-methylpropoxy)benzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-5-bromo-2-isobutoxy-benzamide Formula: C22H24BrN3O2S MolecularWeight: 474.41386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C22H24BrN3O2S/c1-16(2)15-28-20-10-9-18(23)13-19(20)21(27)25-22(29)26(12-6-11-24)14-17-7-4-3-5-8-17/h3-5,7-10,13,16H,6,12,14-15H2,1-2H3,(H,25,27,29)