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

Systemtic Name: [4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-butoxyphenyl)methanone Openeye Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-butoxyphenyl)methanone CAS Name: [4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-(3-butoxyphenyl)methanone IUPAC Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-butoxyphenyl)methanone Traditional Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]-(3-butoxyphenyl)methanone Formula: C22H24BrN3O2S MolecularWeight: 474.41386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C22H24BrN3O2S/c1-2-3-13-28-18-6-4-5-16(14-18)21(27)25-9-11-26(12-10-25)22-24-19-8-7-17(23)15-20(19)29-22/h4-8,14-15H,2-3,9-13H2,1H3