1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-phenylsulfanyl-butan-1-one

Systemtic Name: 1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-phenylsulfanyl-butan-1-one Openeye Name: 1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-phenylsulfanyl-butan-1-one CAS Name: 1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-(phenylthio)-1-butanone IUPAC Name: 1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-phenylsulfanylbutan-1-one Traditional Name: 1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazino]-4-(phenylthio)butan-1-one Formula: C23H27N3OS2 MolecularWeight: 425.60998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N3CCN(CC3)C(=O)CCCSC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N3CCN(CC3)C(=O)CCCSC4=CC=CC=C4

InChI

InChI=1S/C23H27N3OS2/c1-17-10-11-18(2)22-21(17)24-23(29-22)26-14-12-25(13-15-26)20(27)9-6-16-28-19-7-4-3-5-8-19/h3-5,7-8,10-11H,6,9,12-16H2,1-2H3