N-(3-morpholin-4-ylcarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-nitro-benzamide

Systemtic Name: N-(3-morpholin-4-ylcarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-nitro-benzamide Openeye Name: N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-4-nitro-benzamide CAS Name: N-[3-[4-morpholinyl(oxo)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-4-nitrobenzamide IUPAC Name: N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-4-nitrobenzamide Traditional Name: N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-4-nitro-benzamide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)N3CCOCC3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)N3CCOCC3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5S/c25-19(14-6-8-15(9-7-14)24(27)28)22-20-18(21(26)23-10-12-29-13-11-23)16-4-2-1-3-5-17(16)30-20/h6-9H,1-5,10-13H2,(H,22,25)