N-[(4-butoxyphenyl)carbamothioyl]-5-nitro-1-benzofuran-2-carboxamide

Systemtic Name: N-[(4-butoxyphenyl)carbamothioyl]-5-nitro-1-benzofuran-2-carboxamide Openeye Name: N-[(4-butoxyphenyl)carbamothioyl]-5-nitro-benzofuran-2-carboxamide CAS Name: N-[(4-butoxyanilino)-sulfanylidenemethyl]-5-nitro-2-benzofurancarboxamide IUPAC Name: N-[(4-butoxyphenyl)carbamothioyl]-5-nitro-1-benzofuran-2-carboxamide Traditional Name: N-[(4-butoxyphenyl)thiocarbamoyl]-5-nitro-coumarilamide Formula: C20H19N3O5S MolecularWeight: 413.44696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(O2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(O2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5S/c1-2-3-10-27-16-7-4-14(5-8-16)21-20(29)22-19(24)18-12-13-11-15(23(25)26)6-9-17(13)28-18/h4-9,11-12H,2-3,10H2,1H3,(H2,21,22,24,29)