N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-[4-(3,4-dimethylphenyl)-2-thiazolyl]-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-])C

InChI

InChI=1S/C23H25N5O3S/c1-15-4-5-17(12-16(15)2)19-14-32-23(24-19)25-22(29)18-6-7-20(21(13-18)28(30)31)27-10-8-26(3)9-11-27/h4-7,12-14H,8-11H2,1-3H3,(H,24,25,29)