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

Systemtic Name: N-[3-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[(3-nitro-4-pyrrolidino-benzoyl)thiocarbamoylamino]phenyl]thiophene-2-carboxamide Formula: C23H21N5O4S2 MolecularWeight: 495.57394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)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(C1)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/C23H21N5O4S2/c29-21(15-8-9-18(19(13-15)28(31)32)27-10-1-2-11-27)26-23(33)25-17-6-3-5-16(14-17)24-22(30)20-7-4-12-34-20/h3-9,12-14H,1-2,10-11H2,(H,24,30)(H2,25,26,29,33)