4-(4-methylpiperazin-1-yl)-3-nitro-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-(4-methylpiperazin-1-yl)-3-nitro-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-(4-isopropylphenyl)-1,3,4-thiadiazol-2-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: 4-(4-methyl-1-piperazinyl)-3-nitro-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-(4-methylpiperazin-1-yl)-3-nitro-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-(4-methylpiperazino)-3-nitro-N-(5-p-cumenyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C23H26N6O3S MolecularWeight: 466.55594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C23H26N6O3S/c1-15(2)16-4-6-17(7-5-16)22-25-26-23(33-22)24-21(30)18-8-9-19(20(14-18)29(31)32)28-12-10-27(3)11-13-28/h4-9,14-15H,10-13H2,1-3H3,(H,24,26,30)