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

Systemtic Name: 4-chloranyl-N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3-nitro-benzamide Openeye Name: 4-chloro-3-nitro-N-[2-[4-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzamide CAS Name: 4-chloro-N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-piperazinyl]ethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-[4-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]piperazino]ethyl]-3-nitro-benzamide Formula: C23H25ClN6O3S MolecularWeight: 501.001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN6O3S/c1-16-2-4-17(5-3-16)14-21-26-23(34-27-21)29-12-10-28(11-13-29)9-8-25-22(31)18-6-7-19(24)20(15-18)30(32)33/h2-7,15H,8-14H2,1H3,(H,25,31)