3-(5-bromanyl-2-methoxy-phenyl)-N-[(2-piperidin-1-ylphenyl)carbamothioyl]prop-2-enamide

Systemtic Name: 3-(5-bromanyl-2-methoxy-phenyl)-N-[(2-piperidin-1-ylphenyl)carbamothioyl]prop-2-enamide Openeye Name: 3-(5-bromo-2-methoxy-phenyl)-N-[[2-(1-piperidyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: 3-(5-bromo-2-methoxyphenyl)-N-[[2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(5-bromo-2-methoxyphenyl)-N-[(2-piperidin-1-ylphenyl)carbamothioyl]prop-2-enamide Traditional Name: 3-(5-bromo-2-methoxy-phenyl)-N-[(2-piperidinophenyl)thiocarbamoyl]acrylamide Formula: C22H24BrN3O2S MolecularWeight: 474.41386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NC(=S)NC2=CC=CC=C2N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C=CC(=O)NC(=S)NC2=CC=CC=C2N3CCCCC3

InChI

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