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

Systemtic Name: N-[4-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[(4-ethoxy-3-nitro-benzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[(4-ethoxy-3-nitro-benzoyl)thiocarbamoylamino]phenyl]thiophene-2-carboxamide Formula: C21H18N4O5S2 MolecularWeight: 470.52142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O5S2/c1-2-30-17-10-5-13(12-16(17)25(28)29)19(26)24-21(31)23-15-8-6-14(7-9-15)22-20(27)18-4-3-11-32-18/h3-12H,2H2,1H3,(H,22,27)(H2,23,24,26,31)