N-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[4-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]-3-nitro-benzamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O4S/c26-19(13-22-20(27)15-4-3-5-16(12-15)25(28)29)24-10-8-14(9-11-24)21-23-17-6-1-2-7-18(17)30-21/h1-7,12,14H,8-11,13H2,(H,22,27)