3-bromanyl-4-butoxy-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-bromo-4-butoxy-benzamide CAS Name: 3-bromo-4-butoxy-N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-bromo-4-butoxybenzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-3-bromo-4-butoxy-benzamide Formula: C22H24BrN3O2S MolecularWeight: 474.41386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2)Br

InChI

InChI=1S/C22H24BrN3O2S/c1-2-3-14-28-20-11-10-18(15-19(20)23)21(27)25-22(29)26(13-7-12-24)16-17-8-5-4-6-9-17/h4-6,8-11,15H,2-3,7,13-14,16H2,1H3,(H,25,27,29)