N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-4-piperidino-benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c1-13-6-7-14(2)19-18(13)22-21(29-19)23-20(26)15-8-9-16(17(12-15)25(27)28)24-10-4-3-5-11-24/h6-9,12H,3-5,10-11H2,1-2H3,(H,22,23,26)