N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)C4CC4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O3S/c1-21-6-8-22(9-7-21)13-5-4-12(10-14(13)23(25)26)15(24)18-17-20-19-16(27-17)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3,(H,18,20,24)