N-[[5-(4-methylpiperazin-1-yl)-2-nitro-phenyl]methyl]-4-pyridin-4-yl-1,3-thiazol-2-amine

Systemtic Name: N-[[5-(4-methylpiperazin-1-yl)-2-nitro-phenyl]methyl]-4-pyridin-4-yl-1,3-thiazol-2-amine Openeye Name: N-[[5-(4-methylpiperazin-1-yl)-2-nitro-phenyl]methyl]-4-(4-pyridyl)thiazol-2-amine CAS Name: N-[[5-(4-methyl-1-piperazinyl)-2-nitrophenyl]methyl]-4-pyridin-4-yl-2-thiazolamine IUPAC Name: N-[[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]methyl]-4-pyridin-4-yl-1,3-thiazol-2-amine Traditional Name: [5-(4-methylpiperazino)-2-nitro-benzyl]-[4-(4-pyridyl)thiazol-2-yl]amine Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])CNC3=NC(=CS3)C4=CC=NC=C4

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])CNC3=NC(=CS3)C4=CC=NC=C4

InChI

InChI=1S/C20H22N6O2S/c1-24-8-10-25(11-9-24)17-2-3-19(26(27)28)16(12-17)13-22-20-23-18(14-29-20)15-4-6-21-7-5-15/h2-7,12,14H,8-11,13H2,1H3,(H,22,23)