2-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: 2-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[(4-morpholino-3-nitro-benzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[(4-morpholino-3-nitro-benzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C21H24N4O5S MolecularWeight: 444.50406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5S/c22-19(26)18-14-4-2-1-3-5-17(14)31-21(18)23-20(27)13-6-7-15(16(12-13)25(28)29)24-8-10-30-11-9-24/h6-7,12H,1-5,8-11H2,(H2,22,26)(H,23,27)