1-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 1-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-(5-chloro-3-methyl-benzothiophen-2-yl)propan-1-one CAS Name: 1-(5-chloro-3-methyl-1-benzothiophen-2-yl)-3-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(5-chloro-3-methyl-1-benzothiophen-2-yl)propan-1-one Traditional Name: 3-(4-benzylpiperazino)-1-(5-chloro-3-methyl-benzothiophen-2-yl)propan-1-one Formula: C23H25ClN2OS MolecularWeight: 412.9754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)C(=O)CCN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)C(=O)CCN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25ClN2OS/c1-17-20-15-19(24)7-8-22(20)28-23(17)21(27)9-10-25-11-13-26(14-12-25)16-18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3