2-(4-nitrophenoxy)-N-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]ethanamide

Systemtic Name: 2-(4-nitrophenoxy)-N-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]ethanamide Openeye Name: 2-(4-nitrophenoxy)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]acetamide CAS Name: 2-(4-nitrophenoxy)-N-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-nitrophenoxy)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]acetamide Traditional Name: N-[(2-keto-1,3-dihydrobenzimidazol-5-yl)thiocarbamoyl]-2-(4-nitrophenoxy)acetamide Formula: C16H13N5O5S MolecularWeight: 387.36992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3

InChI

InChI=1S/C16H13N5O5S/c22-14(8-26-11-4-2-10(3-5-11)21(24)25)20-16(27)17-9-1-6-12-13(7-9)19-15(23)18-12/h1-7H,8H2,(H2,18,19,23)(H2,17,20,22,27)