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

Systemtic Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methoxyphenyl)sulfanyl-butan-1-one Openeye Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methoxyphenyl)sulfanyl-butan-1-one CAS Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-[(4-methoxyphenyl)thio]-1-butanone IUPAC Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methoxyphenyl)sulfanylbutan-1-one Traditional Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazino]-4-[(4-methoxyphenyl)thio]butan-1-one Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)OC

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)OC

InChI

InChI=1S/C23H27N3O3S2/c1-28-17-8-10-18(11-9-17)30-16-4-7-21(27)25-12-14-26(15-13-25)23-24-22-19(29-2)5-3-6-20(22)31-23/h3,5-6,8-11H,4,7,12-16H2,1-2H3