[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-pentoxyphenyl)methanone

Systemtic Name: [4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-pentoxyphenyl)methanone Openeye Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-pentoxyphenyl)methanone CAS Name: [4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-(3-pentoxyphenyl)methanone IUPAC Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-pentoxyphenyl)methanone Traditional Name: (3-amoxyphenyl)-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C23H26BrN3O2S MolecularWeight: 488.44044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C23H26BrN3O2S/c1-2-3-4-14-29-19-7-5-6-17(15-19)22(28)26-10-12-27(13-11-26)23-25-20-9-8-18(24)16-21(20)30-23/h5-9,15-16H,2-4,10-14H2,1H3