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

Systemtic Name: N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: N-[[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C17H14IN3O2S2 MolecularWeight: 483.34643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C#N)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C#N)I

InChI

InChI=1S/C17H14IN3O2S2/c1-23-13-6-5-9(7-12(13)18)15(22)20-17(24)21-16-11(8-19)10-3-2-4-14(10)25-16/h5-7H,2-4H2,1H3,(H2,20,21,22,24)