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

Systemtic Name: 1-[4-[4-[4-(1,2-benzothiazol-3-yl)piperidin-1-yl]butoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[4-[4-(1,2-benzothiazol-3-yl)-1-piperidyl]butoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[4-[4-(1,2-benzothiazol-3-yl)-1-piperidinyl]butoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[4-[4-(1,2-benzothiazol-3-yl)piperidin-1-yl]butoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[4-[4-(1,2-benzothiazol-3-yl)piperidino]butoxy]-3-methoxy-phenyl]ethanone Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCCCCN2CCC(CC2)C3=NSC4=CC=CC=C43)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCCCCN2CCC(CC2)C3=NSC4=CC=CC=C43)OC

InChI

InChI=1S/C25H30N2O3S/c1-18(28)20-9-10-22(23(17-20)29-2)30-16-6-5-13-27-14-11-19(12-15-27)25-21-7-3-4-8-24(21)31-26-25/h3-4,7-10,17,19H,5-6,11-16H2,1-2H3