[1-(1,3-benzodioxol-5-ylmethyl)piperazin-2-yl]-[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]methanone

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethyl)piperazin-2-yl]-[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]methanone Openeye Name: [1-(1,3-benzodioxol-5-ylmethyl)piperazin-2-yl]-[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]methanone CAS Name: [1-(1,3-benzodioxol-5-ylmethyl)-2-piperazinyl]-[2-[(4-methoxyphenyl)methylthio]phenyl]methanone IUPAC Name: [1-(1,3-benzodioxol-5-ylmethyl)piperazin-2-yl]-[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]methanone Traditional Name: [2-(p-anisylthio)phenyl]-(1-piperonylpiperazin-2-yl)methanone Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)C3CNCCN3CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)C3CNCCN3CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H28N2O4S/c1-31-21-9-6-19(7-10-21)17-34-26-5-3-2-4-22(26)27(30)23-15-28-12-13-29(23)16-20-8-11-24-25(14-20)33-18-32-24/h2-11,14,23,28H,12-13,15-18H2,1H3