N-[4-[(4-nitrophenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[(4-nitrophenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[(4-nitrobenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(4-nitrobenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[(4-nitrobenzoyl)thiocarbamoylamino]phenyl]thiophene-2-carboxamide Formula: C19H14N4O4S2 MolecularWeight: 426.46886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H14N4O4S2/c24-17(12-3-9-15(10-4-12)23(26)27)22-19(28)21-14-7-5-13(6-8-14)20-18(25)16-2-1-11-29-16/h1-11H,(H,20,25)(H2,21,22,24,28)