(E)-1-(4-methylphenyl)-2,3-diphenyl-5-piperidin-1-yl-5-sulfanylidene-pent-3-en-1-one

Systemtic Name: (E)-1-(4-methylphenyl)-2,3-diphenyl-5-piperidin-1-yl-5-sulfanylidene-pent-3-en-1-one Openeye Name: (E)-2,3-diphenyl-5-(1-piperidyl)-1-(p-tolyl)-5-thioxo-pent-3-en-1-one CAS Name: (E)-1-(4-methylphenyl)-2,3-diphenyl-5-(1-piperidinyl)-5-sulfanylidene-3-penten-1-one IUPAC Name: (E)-1-(4-methylphenyl)-2,3-diphenyl-5-piperidin-1-yl-5-sulfanylidenepent-3-en-1-one Traditional Name: (E)-2,3-diphenyl-5-piperidino-1-(p-tolyl)-5-thioxo-pent-3-en-1-one Formula: C29H29NOS MolecularWeight: 439.61166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)C(=CC(=S)N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)/C(=C\C(=S)N3CCCCC3)/C4=CC=CC=C4

InChI

InChI=1S/C29H29NOS/c1-22-15-17-25(18-16-22)29(31)28(24-13-7-3-8-14-24)26(23-11-5-2-6-12-23)21-27(32)30-19-9-4-10-20-30/h2-3,5-8,11-18,21,28H,4,9-10,19-20H2,1H3/b26-21-