N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide

Systemtic Name: N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: N-[[3-chloro-2-(1-piperidyl)phenyl]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: N-[(3-chloro-2-piperidino-phenyl)thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCCC3

InChI

InChI=1S/C22H24ClN3O2S/c1-28-17-11-8-16(9-12-17)10-13-20(27)25-22(29)24-19-7-5-6-18(23)21(19)26-14-3-2-4-15-26/h5-13H,2-4,14-15H2,1H3,(H2,24,25,27,29)