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

Systemtic Name: N-[3-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[3-nitro-4-(1-piperidyl)benzoyl]carbamothioylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[(3-nitro-4-piperidin-1-ylbenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[(3-nitro-4-piperidino-benzoyl)thiocarbamoylamino]phenyl]thiophene-2-carboxamide Formula: C24H23N5O4S2 MolecularWeight: 509.60052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)NC(=O)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)NC(=O)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C24H23N5O4S2/c30-22(16-9-10-19(20(14-16)29(32)33)28-11-2-1-3-12-28)27-24(34)26-18-7-4-6-17(15-18)25-23(31)21-8-5-13-35-21/h4-10,13-15H,1-3,11-12H2,(H,25,31)(H2,26,27,30,34)