2-azanyl-1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-(phenylmethylsulfanyl)propan-1-one

Systemtic Name: 2-azanyl-1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-(phenylmethylsulfanyl)propan-1-one Openeye Name: 2-amino-3-benzylsulfanyl-1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one CAS Name: 2-amino-1-[4-[(3-methoxyphenyl)methyl]-1-piperazinyl]-3-(phenylmethylthio)-1-propanone IUPAC Name: 2-amino-3-benzylsulfanyl-1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one Traditional Name: 2-amino-3-(benzylthio)-1-(4-m-anisylpiperazino)propan-1-one Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CC2)C(=O)C(CSCC3=CC=CC=C3)N

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CC2)C(=O)C(CSCC3=CC=CC=C3)N

InChI

InChI=1S/C22H29N3O2S/c1-27-20-9-5-8-19(14-20)15-24-10-12-25(13-11-24)22(26)21(23)17-28-16-18-6-3-2-4-7-18/h2-9,14,21H,10-13,15-17,23H2,1H3