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

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-nitro-4-piperidino-benzamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c1-2-29-15-7-8-16-19(13-15)30-21(22-16)23-20(26)14-6-9-17(18(12-14)25(27)28)24-10-4-3-5-11-24/h6-9,12-13H,2-5,10-11H2,1H3,(H,22,23,26)