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

Systemtic Name: N-[2-methyl-4-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-methyl-4-[[3-nitro-4-(1-piperidyl)benzoyl]carbamothioylamino]phenyl]benzofuran-2-carboxamide CAS Name: N-[2-methyl-4-[[[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[2-methyl-4-[(3-nitro-4-piperidin-1-ylbenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-methyl-4-[(3-nitro-4-piperidino-benzoyl)thiocarbamoylamino]phenyl]coumarilamide Formula: C29H27N5O5S MolecularWeight: 557.62018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[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)N3CCCCC3)[N+](=O)[O-])NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C29H27N5O5S/c1-18-15-21(10-11-22(18)31-28(36)26-17-19-7-3-4-8-25(19)39-26)30-29(40)32-27(35)20-9-12-23(24(16-20)34(37)38)33-13-5-2-6-14-33/h3-4,7-12,15-17H,2,5-6,13-14H2,1H3,(H,31,36)(H2,30,32,35,40)