N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-methyl-1-piperidyl)-3-nitro-N-thiochroman-4-yl-benzamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: 4-(4-methylpiperidino)-3-nitro-N-thiochroman-4-yl-benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCSC4=CC=CC=C34)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCSC4=CC=CC=C34)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O3S/c1-15-8-11-24(12-9-15)19-7-6-16(14-20(19)25(27)28)22(26)23-18-10-13-29-21-5-3-2-4-17(18)21/h2-7,14-15,18H,8-13H2,1H3,(H,23,26)