N-[4-[(3-nitrophenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[(3-nitrophenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[(3-nitrobenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(3-nitrobenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[(3-nitrobenzoyl)thiocarbamoylamino]phenyl]thiophene-2-carboxamide Formula: C19H14N4O4S2 MolecularWeight: 426.46886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3

InChI

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