1-[4-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-methyl-butoxy]-3-methoxy-phenyl]ethanone

Systemtic Name: 1-[4-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-methyl-butoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-methyl-butoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-3-methylbutoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-methylbutoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[4-[4-(1,2-benzothiazol-3-yl)piperazino]-3-methyl-butoxy]-3-methoxy-phenyl]ethanone Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=C(C=C(C=C1)C(=O)C)OC)CN2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

CC(CCOC1=C(C=C(C=C1)C(=O)C)OC)CN2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C25H31N3O3S/c1-18(10-15-31-22-9-8-20(19(2)29)16-23(22)30-3)17-27-11-13-28(14-12-27)25-21-6-4-5-7-24(21)32-26-25/h4-9,16,18H,10-15,17H2,1-3H3