(4-tert-butylphenyl)-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-(6-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C22H24ClN3OS MolecularWeight: 413.96346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3OS/c1-22(2,3)16-6-4-15(5-7-16)20(27)25-10-12-26(13-11-25)21-24-18-9-8-17(23)14-19(18)28-21/h4-9,14H,10-13H2,1-3H3