N-[4-[[(E)-1-azanyl-2-nitro-ethenyl]amino]phenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide

Systemtic Name: N-[4-[[(E)-1-azanyl-2-nitro-ethenyl]amino]phenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Openeye Name: N-[4-[[(E)-1-amino-2-nitro-vinyl]amino]phenyl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide CAS Name: N-[4-[[(E)-1-amino-2-nitroethenyl]amino]phenyl]-3-(4-quinolinylmethylamino)-2-thiophenecarboxamide IUPAC Name: N-[4-[[(E)-1-amino-2-nitroethenyl]amino]phenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Traditional Name: N-[4-[[(E)-1-amino-2-nitro-vinyl]amino]phenyl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide Formula: C23H20N6O3S MolecularWeight: 460.5083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)NC(=C[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)N/C(=C/[N+](=O)[O-])/N

InChI

InChI=1S/C23H20N6O3S/c24-21(14-29(31)32)27-16-5-7-17(8-6-16)28-23(30)22-20(10-12-33-22)26-13-15-9-11-25-19-4-2-1-3-18(15)19/h1-12,14,26-27H,13,24H2,(H,28,30)/b21-14+