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

Systemtic Name: N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-[4-(2-chlorophenyl)thiazol-2-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-[4-(2-chlorophenyl)-2-thiazolyl]-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-[4-(2-chlorophenyl)thiazol-2-yl]-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C21H20ClN5O3S MolecularWeight: 457.9332

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H20ClN5O3S/c1-25-8-10-26(11-9-25)18-7-6-14(12-19(18)27(29)30)20(28)24-21-23-17(13-31-21)15-4-2-3-5-16(15)22/h2-7,12-13H,8-11H2,1H3,(H,23,24,28)