1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-4-(4-ethoxyphenyl)butane-1,4-dione CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-4-(4-ethoxyphenyl)butane-1,4-dione IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-4-p-phenetyl-butane-1,4-dione Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O3S/c1-2-29-19-9-7-17(8-10-19)21(27)11-12-23(28)26-15-13-18(14-16-26)24-25-20-5-3-4-6-22(20)30-24/h3-10,18H,2,11-16H2,1H3