1-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)-1-piperidyl]-4-(5-methyl-2-thienyl)butane-1,4-dione CAS Name: 1-[2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-4-(5-methyl-2-thiophenyl)butane-1,4-dione IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)piperidino]-4-(5-methyl-2-thienyl)butane-1,4-dione Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)N2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)N2CCCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O2S2/c1-14-9-11-19(26-14)17(24)10-12-20(25)23-13-5-4-7-16(23)21-22-15-6-2-3-8-18(15)27-21/h2-3,6,8-9,11,16H,4-5,7,10,12-13H2,1H3