(6E)-6-[6-azanyl-5-(phenylsulfanylmethyl)-4-piperidin-3-yl-1H-pyridin-2-ylidene]-5-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[6-azanyl-5-(phenylsulfanylmethyl)-4-piperidin-3-yl-1H-pyridin-2-ylidene]-5-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[6-amino-5-(phenylsulfanylmethyl)-4-(3-piperidyl)-1H-pyridin-2-ylidene]-5-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[6-amino-5-[(phenylthio)methyl]-4-(3-piperidinyl)-1H-pyridin-2-ylidene]-5-(cyclopropylmethoxy)-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[6-amino-5-(phenylsulfanylmethyl)-4-piperidin-3-yl-1H-pyridin-2-ylidene]-5-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[6-amino-5-[(phenylthio)methyl]-4-(3-piperidyl)-1H-pyridin-2-ylidene]-5-(cyclopropylmethoxy)cyclohexa-2,4-dien-1-one Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C2=CC(=C3C(=O)C=CC=C3OCC4CC4)NC(=C2CSC5=CC=CC=C5)N

Isomeric SMILES

C1CC(CNC1)C2=C/C(=C/3\C(=O)C=CC=C3OCC4CC4)/NC(=C2CSC5=CC=CC=C5)N

InChI

InChI=1S/C27H31N3O2S/c28-27-22(17-33-20-7-2-1-3-8-20)21(19-6-5-13-29-15-19)14-23(30-27)26-24(31)9-4-10-25(26)32-16-18-11-12-18/h1-4,7-10,14,18-19,29-30H,5-6,11-13,15-17,28H2/b26-23-