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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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