2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: 2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[(3-nitro-4-pyrrolidino-benzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c22-19(26)18-14-6-2-1-3-7-17(14)30-21(18)23-20(27)13-8-9-15(16(12-13)25(28)29)24-10-4-5-11-24/h8-9,12H,1-7,10-11H2,(H2,22,26)(H,23,27)