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

Systemtic Name: N-[2-chloranyl-4-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[2-chloro-4-[[3-nitro-4-(1-piperidyl)benzoyl]carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[2-chloro-4-[[[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[2-chloro-4-[(3-nitro-4-piperidin-1-ylbenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[2-chloro-4-[(3-nitro-4-piperidino-benzoyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C24H22ClN5O5S MolecularWeight: 527.97998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)NC(=O)C4=CC=CO4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)NC(=O)C4=CC=CO4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H22ClN5O5S/c25-17-14-16(7-8-18(17)27-23(32)21-5-4-12-35-21)26-24(36)28-22(31)15-6-9-19(20(13-15)30(33)34)29-10-2-1-3-11-29/h4-9,12-14H,1-3,10-11H2,(H,27,32)(H2,26,28,31,36)