N-[4-chloranyl-6-(3-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazol-6-amine

Systemtic Name: N-[4-chloranyl-6-(3-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazol-6-amine Openeye Name: N-[4-chloro-6-(3-phenyl-1-piperidyl)-1,3,5-triazin-2-yl]-1,3-benzothiazol-6-amine CAS Name: N-[4-chloro-6-(3-phenyl-1-piperidinyl)-1,3,5-triazin-2-yl]-1,3-benzothiazol-6-amine IUPAC Name: N-[4-chloro-6-(3-phenylpiperidin-1-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazol-6-amine Traditional Name: 1,3-benzothiazol-6-yl-[4-chloro-6-(3-phenylpiperidino)-s-triazin-2-yl]amine Formula: C21H19ClN6S MolecularWeight: 422.93376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=NC(=N2)Cl)NC3=CC4=C(C=C3)N=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)C2=NC(=NC(=N2)Cl)NC3=CC4=C(C=C3)N=CS4)C5=CC=CC=C5

InChI

InChI=1S/C21H19ClN6S/c22-19-25-20(24-16-8-9-17-18(11-16)29-13-23-17)27-21(26-19)28-10-4-7-15(12-28)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,15H,4,7,10,12H2,(H,24,25,26,27)