4-(1,3-benzothiazol-2-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-methoxyphenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-methoxyphenyl)piperazino]butan-1-one Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O2S/c1-27-18-11-9-17(10-12-18)24-13-15-25(16-14-24)22(26)8-4-7-21-23-19-5-2-3-6-20(19)28-21/h2-3,5-6,9-12H,4,7-8,13-16H2,1H3