N2-(1,3-benzothiazol-6-yl)-N4-(2,2-dimethylpropyl)quinoline-2,4-diamine

Systemtic Name: N2-(1,3-benzothiazol-6-yl)-N4-(2,2-dimethylpropyl)quinoline-2,4-diamine Openeye Name: N2-(1,3-benzothiazol-6-yl)-N4-(2,2-dimethylpropyl)quinoline-2,4-diamine CAS Name: N2-(1,3-benzothiazol-6-yl)-N4-(2,2-dimethylpropyl)quinoline-2,4-diamine IUPAC Name: 2-N-(1,3-benzothiazol-6-yl)-4-N-(2,2-dimethylpropyl)quinoline-2,4-diamine Traditional Name: 1,3-benzothiazol-6-yl-[4-(neopentylamino)-2-quinolyl]amine Formula: C21H22N4S MolecularWeight: 362.49118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=CC(=NC2=CC=CC=C21)NC3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CC(C)(C)CNC1=CC(=NC2=CC=CC=C21)NC3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C21H22N4S/c1-21(2,3)12-22-18-11-20(25-16-7-5-4-6-15(16)18)24-14-8-9-17-19(10-14)26-13-23-17/h4-11,13H,12H2,1-3H3,(H2,22,24,25)