(2E)-5-(3-chlorophenyl)-4-(3-piperidin-1-ylpropyl)-2-(1H-pyrrol-2-ylmethylidene)thiolan-3-one

Systemtic Name: (2E)-5-(3-chlorophenyl)-4-(3-piperidin-1-ylpropyl)-2-(1H-pyrrol-2-ylmethylidene)thiolan-3-one Openeye Name: (2E)-5-(3-chlorophenyl)-4-[3-(1-piperidyl)propyl]-2-(1H-pyrrol-2-ylmethylene)tetrahydrothiophen-3-one CAS Name: (2E)-5-(3-chlorophenyl)-4-[3-(1-piperidinyl)propyl]-2-(1H-pyrrol-2-ylmethylidene)-3-thiolanone IUPAC Name: (2E)-5-(3-chlorophenyl)-4-(3-piperidin-1-ylpropyl)-2-(1H-pyrrol-2-ylmethylidene)thiolan-3-one Traditional Name: (2E)-5-(3-chlorophenyl)-4-(3-piperidinopropyl)-2-(1H-pyrrol-2-ylmethylene)tetrahydrothiophen-3-one Formula: C23H27ClN2OS MolecularWeight: 414.99128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCC2C(SC(=CC3=CC=CN3)C2=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCN(CC1)CCCC2C(S/C(=C/C3=CC=CN3)/C2=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H27ClN2OS/c24-18-8-4-7-17(15-18)23-20(10-6-14-26-12-2-1-3-13-26)22(27)21(28-23)16-19-9-5-11-25-19/h4-5,7-9,11,15-16,20,23,25H,1-3,6,10,12-14H2/b21-16+