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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-4-(4-propoxyphenyl)butane-1,4-dione CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-4-(4-propoxyphenyl)butane-1,4-dione IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-4-(4-propoxyphenyl)butane-1,4-dione Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H28N2O3S/c1-2-17-30-20-9-7-18(8-10-20)22(28)11-12-24(29)27-15-13-19(14-16-27)25-26-21-5-3-4-6-23(21)31-25/h3-10,19H,2,11-17H2,1H3