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

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[(2-pyrrolidinophenyl)thiocarbamoyl]acrylamide Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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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=C2N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3

InChI

InChI=1S/C21H22BrN3O2S/c1-27-19-10-9-16(22)14-15(19)8-11-20(26)24-21(28)23-17-6-2-3-7-18(17)25-12-4-5-13-25/h2-3,6-11,14H,4-5,12-13H2,1H3,(H2,23,24,26,28)/b11-8+