2-(1,3-benzodioxol-5-yl)-N-cyclohex-2-en-1-yl-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-cyclohex-2-en-1-yl-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanyl-ethanamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-cyclohex-2-en-1-yl-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanyl-acetamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(1-cyclohex-2-enyl)-N-[(4-methoxyphenyl)methyl]-2-(phenylthio)acetamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-cyclohex-2-en-1-yl-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylacetamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-cyclohex-2-en-1-yl-N-p-anisyl-2-(phenylthio)acetamide Formula: C29H29NO4S MolecularWeight: 487.60986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C2CCCC=C2)C(=O)C(C3=CC4=C(C=C3)OCO4)SC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CN(C2CCCC=C2)C(=O)C(C3=CC4=C(C=C3)OCO4)SC5=CC=CC=C5

InChI

InChI=1S/C29H29NO4S/c1-32-24-15-12-21(13-16-24)19-30(23-8-4-2-5-9-23)29(31)28(35-25-10-6-3-7-11-25)22-14-17-26-27(18-22)34-20-33-26/h3-4,6-8,10-18,23,28H,2,5,9,19-20H2,1H3