N-[2-methyl-4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-methyl-4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-methyl-4-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)carbamothioylamino]phenyl]benzofuran-2-carboxamide CAS Name: N-[2-methyl-4-[[[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[2-methyl-4-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-methyl-4-[(3-nitro-4-pyrrolidino-benzoyl)thiocarbamoylamino]phenyl]coumarilamide Formula: C28H25N5O5S MolecularWeight: 543.5936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C28H25N5O5S/c1-17-14-20(9-10-21(17)30-27(35)25-16-18-6-2-3-7-24(18)38-25)29-28(39)31-26(34)19-8-11-22(23(15-19)33(36)37)32-12-4-5-13-32/h2-3,6-11,14-16H,4-5,12-13H2,1H3,(H,30,35)(H2,29,31,34,39)