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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-ylthio)-1-[4-(4-methoxyphenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-1-[4-(4-methoxyphenyl)piperazino]butan-1-one Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O2S2/c1-27-18-10-8-17(9-11-18)24-12-14-25(15-13-24)21(26)7-4-16-28-22-23-19-5-2-3-6-20(19)29-22/h2-3,5-6,8-11H,4,7,12-16H2,1H3