5-butyl-4-(4-methoxyphenyl)-6-piperazin-1-yl-1,3-benzothiazol-2-amine

Systemtic Name: 5-butyl-4-(4-methoxyphenyl)-6-piperazin-1-yl-1,3-benzothiazol-2-amine Openeye Name: 5-butyl-4-(4-methoxyphenyl)-6-piperazin-1-yl-1,3-benzothiazol-2-amine CAS Name: 5-butyl-4-(4-methoxyphenyl)-6-(1-piperazinyl)-1,3-benzothiazol-2-amine IUPAC Name: 5-butyl-4-(4-methoxyphenyl)-6-piperazin-1-yl-1,3-benzothiazol-2-amine Traditional Name: [5-butyl-4-(4-methoxyphenyl)-6-piperazino-1,3-benzothiazol-2-yl]amine Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=C1N3CCNCC3)SC(=N2)N)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCC1=C(C2=C(C=C1N3CCNCC3)SC(=N2)N)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H28N4OS/c1-3-4-5-17-18(26-12-10-24-11-13-26)14-19-21(25-22(23)28-19)20(17)15-6-8-16(27-2)9-7-15/h6-9,14,24H,3-5,10-13H2,1-2H3,(H2,23,25)