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

Systemtic Name: 1-[4-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfanyl-propan-1-one CAS Name: 1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-[(4-methoxyphenyl)thio]-1-propanone IUPAC Name: 1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazino]-3-[(4-methoxyphenyl)thio]propan-1-one Formula: C22H24ClN3O3S2 MolecularWeight: 478.02726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O3S2/c1-28-15-3-5-16(6-4-15)30-14-9-19(27)25-10-12-26(13-11-25)22-24-20-18(29-2)8-7-17(23)21(20)31-22/h3-8H,9-14H2,1-2H3