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

Systemtic Name: 1-[4-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methoxyphenyl)sulfanyl-butan-1-one Openeye Name: 1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methoxyphenyl)sulfanyl-butan-1-one CAS Name: 1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-[(4-methoxyphenyl)thio]-1-butanone IUPAC Name: 1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methoxyphenyl)sulfanylbutan-1-one Traditional Name: 1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazino]-4-[(4-methoxyphenyl)thio]butan-1-one Formula: C23H26ClN3O3S2 MolecularWeight: 492.05384

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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)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O3S2/c1-29-16-5-7-17(8-6-16)31-15-3-4-20(28)26-11-13-27(14-12-26)23-25-21-19(30-2)10-9-18(24)22(21)32-23/h5-10H,3-4,11-15H2,1-2H3