2-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(5-nitro-2-pyrrolidino-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4)C(=O)N

InChI

InChI=1S/C20H22N4O4S/c21-18(25)17-13-5-1-2-6-16(13)29-20(17)22-19(26)14-11-12(24(27)28)7-8-15(14)23-9-3-4-10-23/h7-8,11H,1-6,9-10H2,(H2,21,25)(H,22,26)