2-azanyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-(phenylmethylsulfanyl)propan-1-one

Systemtic Name: 2-azanyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-(phenylmethylsulfanyl)propan-1-one Openeye Name: 2-amino-3-benzylsulfanyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one CAS Name: 2-amino-1-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-3-(phenylmethylthio)-1-propanone IUPAC Name: 2-amino-3-benzylsulfanyl-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one Traditional Name: 2-amino-3-(benzylthio)-1-[4-(2,5-dimethoxybenzyl)piperazino]propan-1-one Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-28-20-8-9-22(29-2)19(14-20)15-25-10-12-26(13-11-25)23(27)21(24)17-30-16-18-6-4-3-5-7-18/h3-9,14,21H,10-13,15-17,24H2,1-2H3