N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(5,6-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=CC2=C(C=C1C)SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

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