N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3,5-dinitro-benzamide

Systemtic Name: N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3,5-dinitro-benzamide Openeye Name: 3,5-dinitro-N-[2-[4-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzamide CAS Name: N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-piperazinyl]ethyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3,5-dinitrobenzamide Traditional Name: N-[2-[4-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]piperazino]ethyl]-3,5-dinitro-benzamide Formula: C23H25N7O5S MolecularWeight: 511.5535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCN(CC3)CCNC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCN(CC3)CCNC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H25N7O5S/c1-16-2-4-17(5-3-16)12-21-25-23(36-26-21)28-10-8-27(9-11-28)7-6-24-22(31)18-13-19(29(32)33)15-20(14-18)30(34)35/h2-5,13-15H,6-12H2,1H3,(H,24,31)