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

Systemtic Name: (6Z)-6-[[4-(phenylmethyl)piperazin-1-yl]-sulfanyl-methylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[(4-benzylpiperazin-1-yl)-sulfanyl-methylene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[mercapto-[4-(phenylmethyl)-1-piperazinyl]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[(4-benzylpiperazin-1-yl)-sulfanylmethylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[(4-benzylpiperazino)-mercapto-methylene]cyclohexa-2,4-dien-1-one Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=C3C=CC=CC3=O)S

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)/C(=C/3\C=CC=CC3=O)/S

InChI

InChI=1S/C18H20N2OS/c21-17-9-5-4-8-16(17)18(22)20-12-10-19(11-13-20)14-15-6-2-1-3-7-15/h1-9,22H,10-14H2/b18-16-