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

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: 3-nitro-4-(1-piperidyl)-N-thiochroman-4-yl-benzamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: 3-nitro-4-piperidino-N-thiochroman-4-yl-benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCSC4=CC=CC=C34)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCSC4=CC=CC=C34)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O3S/c25-21(22-17-10-13-28-20-7-3-2-6-16(17)20)15-8-9-18(19(14-15)24(26)27)23-11-4-1-5-12-23/h2-3,6-9,14,17H,1,4-5,10-13H2,(H,22,25)