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

Systemtic Name: (E)-N-[[3-chloranyl-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[3-chloro-4-(4-methyl-1-piperidyl)phenyl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[3-chloro-4-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[3-chloro-4-(4-methylpiperidino)phenyl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C22H24ClN3OS MolecularWeight: 413.96346

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CC=C3)Cl

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H24ClN3OS/c1-16-11-13-26(14-12-16)20-9-8-18(15-19(20)23)24-22(28)25-21(27)10-7-17-5-3-2-4-6-17/h2-10,15-16H,11-14H2,1H3,(H2,24,25,27,28)/b10-7+