4-(4-methylpiperazin-1-yl)-3-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

Systemtic Name: 4-(4-methylpiperazin-1-yl)-3-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide Openeye Name: 4-(4-methylpiperazin-1-yl)-3-nitro-N-(4-phenylthiazol-2-yl)benzamide CAS Name: 4-(4-methyl-1-piperazinyl)-3-nitro-N-(4-phenyl-2-thiazolyl)benzamide IUPAC Name: 4-(4-methylpiperazin-1-yl)-3-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide Traditional Name: 4-(4-methylpiperazino)-3-nitro-N-(4-phenylthiazol-2-yl)benzamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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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=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O3S/c1-24-9-11-25(12-10-24)18-8-7-16(13-19(18)26(28)29)20(27)23-21-22-17(14-30-21)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,22,23,27)