N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-ethyl]-2-nitro-benzamide

Systemtic Name: N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-ethyl]-2-nitro-benzamide Openeye Name: N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-ethyl]-2-nitro-benzamide CAS Name: N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2-nitrobenzamide IUPAC Name: N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]-2-nitrobenzamide Traditional Name: N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-ethyl]-2-nitro-benzamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1SC=C2)C(CNC(=O)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1SC=C2)C(CNC(=O)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O3S/c26-22(18-8-4-5-9-19(18)25(27)28)23-14-20(16-6-2-1-3-7-16)24-12-10-21-17(15-24)11-13-29-21/h1-9,11,13,20H,10,12,14-15H2,(H,23,26)