1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(4-ethoxy-3-methoxy-phenyl)propan-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(4-ethoxy-3-methoxy-phenyl)propan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-(4-ethoxy-3-methoxy-phenyl)propan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-(4-ethoxy-3-methoxyphenyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(4-ethoxy-3-methoxyphenyl)propan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-3-(4-ethoxy-3-methoxy-phenyl)propan-1-one Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C24H28N2O3S/c1-3-29-20-10-8-17(16-21(20)28-2)9-11-23(27)26-14-12-18(13-15-26)24-25-19-6-4-5-7-22(19)30-24/h4-8,10,16,18H,3,9,11-15H2,1-2H3