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

Systemtic Name: N-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-[4-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]-4-methyl-3-nitro-benzamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4S/c1-14-6-7-16(12-18(14)26(29)30)21(28)23-13-20(27)25-10-8-15(9-11-25)22-24-17-4-2-3-5-19(17)31-22/h2-7,12,15H,8-11,13H2,1H3,(H,23,28)