1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methoxyphenyl)sulfanyl-butan-1-one

Systemtic Name: 1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methoxyphenyl)sulfanyl-butan-1-one Openeye Name: 1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methoxyphenyl)sulfanyl-butan-1-one CAS Name: 1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-[(4-methoxyphenyl)thio]-1-butanone IUPAC Name: 1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methoxyphenyl)sulfanylbutan-1-one Traditional Name: 1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazino]-4-[(4-methoxyphenyl)thio]butan-1-one Formula: C24H29N3O2S2 MolecularWeight: 455.63596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N3CCN(CC3)C(=O)CCCSC4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N3CCN(CC3)C(=O)CCCSC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C24H29N3O2S2/c1-17-15-18(2)23-21(16-17)25-24(31-23)27-12-10-26(11-13-27)22(28)5-4-14-30-20-8-6-19(29-3)7-9-20/h6-9,15-16H,4-5,10-14H2,1-3H3