4-(1,3-benzothiazol-2-yl)-1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[2-(4-methoxyphenyl)ethyl]-1-piperidyl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[2-(4-methoxyphenyl)ethyl]-1-piperidinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[2-(4-methoxyphenyl)ethyl]piperidino]butan-1-one Formula: C25H30N2O2S MolecularWeight: 422.5829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H30N2O2S/c1-29-21-13-11-19(12-14-21)9-10-20-15-17-27(18-16-20)25(28)8-4-7-24-26-22-5-2-3-6-23(22)30-24/h2-3,5-6,11-14,20H,4,7-10,15-18H2,1H3