(4-pentoxyphenyl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (4-pentoxyphenyl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: [4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-pentoxyphenyl)methanone CAS Name: (4-pentoxyphenyl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (4-pentoxyphenyl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (4-amoxyphenyl)-[4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C26H33N3O2S MolecularWeight: 451.62412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)C(C)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)C(C)C

InChI

InChI=1S/C26H33N3O2S/c1-4-5-6-18-31-21-12-10-20(11-13-21)25(30)28-14-16-29(17-15-28)26-27-24-22(19(2)3)8-7-9-23(24)32-26/h7-13,19H,4-6,14-18H2,1-3H3