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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(4-propylphenyl)butane-1,4-dione Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-4-(4-propylphenyl)butane-1,4-dione CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-4-(4-propylphenyl)butane-1,4-dione IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(4-propylphenyl)butane-1,4-dione Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-4-(4-propylphenyl)butane-1,4-dione Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H28N2O2S/c1-2-5-18-8-10-19(11-9-18)22(28)12-13-24(29)27-16-14-20(15-17-27)25-26-21-6-3-4-7-23(21)30-25/h3-4,6-11,20H,2,5,12-17H2,1H3