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

Systemtic Name: 5-bromanyl-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-5-bromo-2-(2-methoxyethoxy)benzamide CAS Name: 5-bromo-N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-2-(2-methoxyethoxy)benzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-5-bromo-2-(2-methoxyethoxy)benzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-5-bromo-2-(2-methoxyethoxy)benzamide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

COCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C21H22BrN3O3S/c1-27-12-13-28-19-9-8-17(22)14-18(19)20(26)24-21(29)25(11-5-10-23)15-16-6-3-2-4-7-16/h2-4,6-9,14H,5,11-13,15H2,1H3,(H,24,26,29)