4-(4-methylpiperidin-1-yl)-3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-(4-methylpiperidin-1-yl)-3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(4-methyl-1-piperidyl)-3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(4-methylpiperidin-1-yl)-3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(4-methylpiperidino)-3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C20H19N5O5S MolecularWeight: 441.46036

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5S/c1-12-6-8-23(9-7-12)16-5-2-13(10-17(16)25(29)30)19(26)22-20-21-15-4-3-14(24(27)28)11-18(15)31-20/h2-5,10-12H,6-9H2,1H3,(H,21,22,26)