2-(aminocarbonylamino)-8-ethynyl-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide

Systemtic Name: 2-(aminocarbonylamino)-8-ethynyl-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide Openeye Name: 8-ethynyl-2-ureido-4,5-dihydrobenzo[g]benzothiophene-3-carboxamide CAS Name: 2-(carbamoylamino)-8-ethynyl-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide IUPAC Name: 2-(carbamoylamino)-8-ethynyl-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide Traditional Name: 8-ethynyl-2-ureido-4,5-dihydrobenzo[g]benzothiophene-3-carboxamide Formula: C16H13N3O2S MolecularWeight: 311.35832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(CCC3=C2SC(=C3C(=O)N)NC(=O)N)C=C1

Isomeric SMILES

C#CC1=CC2=C(CCC3=C2SC(=C3C(=O)N)NC(=O)N)C=C1

InChI

InChI=1S/C16H13N3O2S/c1-2-8-3-4-9-5-6-10-12(14(17)20)15(19-16(18)21)22-13(10)11(9)7-8/h1,3-4,7H,5-6H2,(H2,17,20)(H3,18,19,21)