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

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(2-methyl-1,3-benzothiazol-6-yl)-3-nitro-4-piperidino-benzamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S/c1-13-21-16-7-6-15(12-19(16)28-13)22-20(25)14-5-8-17(18(11-14)24(26)27)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,25)