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

Systemtic Name: N-[2-methyl-4-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[2-methyl-4-[[3-nitro-4-(1-piperidyl)benzoyl]carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[2-methyl-4-[[[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[2-methyl-4-[(3-nitro-4-piperidin-1-ylbenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[2-methyl-4-[(3-nitro-4-piperidino-benzoyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C25H25N5O5S MolecularWeight: 507.5615

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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=CC=CO4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])NC(=O)C4=CC=CO4

InChI

InChI=1S/C25H25N5O5S/c1-16-14-18(8-9-19(16)27-24(32)22-6-5-13-35-22)26-25(36)28-23(31)17-7-10-20(21(15-17)30(33)34)29-11-3-2-4-12-29/h5-10,13-15H,2-4,11-12H2,1H3,(H,27,32)(H2,26,28,31,36)