2-ethoxy-4-[[4-(phenylmethyl)piperidin-1-yl]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2-ethoxy-4-[[4-(phenylmethyl)piperidin-1-yl]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[(4-benzyl-1-piperidyl)-sulfanyl-methylene]-2-ethoxy-cyclohexa-2,5-dien-1-one CAS Name: 2-ethoxy-4-[mercapto-[4-(phenylmethyl)-1-piperidinyl]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(4-benzylpiperidin-1-yl)-sulfanylmethylidene]-2-ethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[(4-benzylpiperidino)-mercapto-methylene]-2-ethoxy-cyclohexa-2,5-dien-1-one Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(N2CCC(CC2)CC3=CC=CC=C3)S)C=CC1=O

Isomeric SMILES

CCOC1=CC(=C(N2CCC(CC2)CC3=CC=CC=C3)S)C=CC1=O

InChI

InChI=1S/C21H25NO2S/c1-2-24-20-15-18(8-9-19(20)23)21(25)22-12-10-17(11-13-22)14-16-6-4-3-5-7-16/h3-9,15,17,25H,2,10-14H2,1H3