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

Systemtic Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(phenylmethylsulfanyl)butan-1-one Openeye Name: 4-benzylsulfanyl-1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(phenylmethylthio)-1-butanone IUPAC Name: 4-benzylsulfanyl-1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-(benzylthio)-1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazino]butan-1-one Formula: C23H27N3O2S2 MolecularWeight: 441.60938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCCSCC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCCSCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2S2/c1-28-19-9-5-10-20-22(19)24-23(30-20)26-14-12-25(13-15-26)21(27)11-6-16-29-17-18-7-3-2-4-8-18/h2-5,7-10H,6,11-17H2,1H3