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

Systemtic Name: 2-azanyl-3-(phenylmethylsulfanyl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one Openeye Name: 2-amino-3-benzylsulfanyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one CAS Name: 2-amino-3-(phenylmethylthio)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-amino-3-benzylsulfanyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one Traditional Name: 2-amino-3-(benzylthio)-1-[4-(2,3,4-trimethoxybenzyl)piperazino]propan-1-one Formula: C24H33N3O4S MolecularWeight: 459.60152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O4S/c1-29-21-10-9-19(22(30-2)23(21)31-3)15-26-11-13-27(14-12-26)24(28)20(25)17-32-16-18-7-5-4-6-8-18/h4-10,20H,11-17,25H2,1-3H3