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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3CCSC4=CC=CC=C34)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3CCSC4=CC=CC=C34)[N+](=O)[O-]

InChI

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