N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)thiocarbamoyl]-2-nitro-benzamide Formula: C16H12N4O3S2 MolecularWeight: 372.42148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O3S2/c17-8-11-9-5-3-7-13(9)25-15(11)19-16(24)18-14(21)10-4-1-2-6-12(10)20(22)23/h1-2,4,6H,3,5,7H2,(H2,18,19,21,24)