(E)-N-[2-[4-(4-fluorophenyl)carbonyl-1-propyl-piperidin-2-yl]sulfanylphenyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[2-[4-(4-fluorophenyl)carbonyl-1-propyl-piperidin-2-yl]sulfanylphenyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[2-[[4-(4-fluorobenzoyl)-1-propyl-2-piperidyl]sulfanyl]phenyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[2-[[4-[(4-fluorophenyl)-oxomethyl]-1-propyl-2-piperidinyl]thio]phenyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[2-[4-(4-fluorobenzoyl)-1-propylpiperidin-2-yl]sulfanylphenyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[2-[[4-(4-fluorobenzoyl)-1-propyl-2-piperidyl]thio]phenyl]-3-phenyl-acrylamide Formula: C30H31FN2O2S MolecularWeight: 502.642743

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1SC2=CC=CC=C2NC(=O)C=CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCCN1CCC(CC1SC2=CC=CC=C2NC(=O)/C=C/C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C30H31FN2O2S/c1-2-19-33-20-18-24(30(35)23-13-15-25(31)16-14-23)21-29(33)36-27-11-7-6-10-26(27)32-28(34)17-12-22-8-4-3-5-9-22/h3-17,24,29H,2,18-21H2,1H3,(H,32,34)/b17-12+