(6Z)-6-[[4-(phenylmethyl)piperidin-1-yl]-sulfanyl-methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-[[4-(phenylmethyl)piperidin-1-yl]-sulfanyl-methylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[(4-benzyl-1-piperidyl)-sulfanyl-methylene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[mercapto-[4-(phenylmethyl)-1-piperidinyl]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[(4-benzylpiperidin-1-yl)-sulfanylmethylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[(4-benzylpiperidino)-mercapto-methylene]cyclohexa-2,4-dien-1-one Formula: C19H21NOS MolecularWeight: 311.44114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=C3C=CC=CC3=O)S

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)/C(=C/3\C=CC=CC3=O)/S

InChI

InChI=1S/C19H21NOS/c21-18-9-5-4-8-17(18)19(22)20-12-10-16(11-13-20)14-15-6-2-1-3-7-15/h1-9,16,22H,10-14H2/b19-17-