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

Systemtic Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfanyl-propan-1-one CAS Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-[(4-methoxyphenyl)thio]-1-propanone IUPAC Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazino]-3-[(4-methoxyphenyl)thio]propan-1-one Formula: C23H27N3O2S2 MolecularWeight: 441.60938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCSC4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CCSC4=CC=C(C=C4)OC

InChI

InChI=1S/C23H27N3O2S2/c1-3-17-5-4-6-20-22(17)24-23(30-20)26-14-12-25(13-15-26)21(27)11-16-29-19-9-7-18(28-2)8-10-19/h4-10H,3,11-16H2,1-2H3