6-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine Openeye Name: 6-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine CAS Name: 6-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-anilino-6-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]-s-triazin-2-yl]-phenyl-amine Formula: C26H23N9O2S MolecularWeight: 525.58492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC(=N2)NC3=CC=CC=C3)NC4=CC=CC=C4)C5=NC6=C(S5)C=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC(=NC(=N2)NC3=CC=CC=C3)NC4=CC=CC=C4)C5=NC6=C(S5)C=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C26H23N9O2S/c36-35(37)20-11-12-21-22(17-20)38-26(29-21)34-15-13-33(14-16-34)25-31-23(27-18-7-3-1-4-8-18)30-24(32-25)28-19-9-5-2-6-10-19/h1-12,17H,13-16H2,(H2,27,28,30,31,32)