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

Systemtic Name: 1-[4-[4-(1,2-benzothiazol-3-yl)-4-piperidin-1-yl-butoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[4-(1,2-benzothiazol-3-yl)-4-(1-piperidyl)butoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[4-(1,2-benzothiazol-3-yl)-4-(1-piperidinyl)butoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[4-(1,2-benzothiazol-3-yl)-4-piperidin-1-ylbutoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[4-(1,2-benzothiazol-3-yl)-4-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)OCCCC(C2=NSC3=CC=CC=C32)N4CCCCC4)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCCCC(C2=NSC3=CC=CC=C32)N4CCCCC4)OC

InChI

InChI=1S/C25H30N2O3S/c1-18(28)19-12-13-22(23(17-19)29-2)30-16-8-10-21(27-14-6-3-7-15-27)25-20-9-4-5-11-24(20)31-26-25/h4-5,9,11-13,17,21H,3,6-8,10,14-16H2,1-2H3