N-[(3-cyano-1,4,5,6,7,8-hexahydroazulen-2-yl)carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[(3-cyano-1,4,5,6,7,8-hexahydroazulen-2-yl)carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[(3-cyano-1,4,5,6,7,8-hexahydroazulen-2-yl)carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[(3-cyano-1,4,5,6,7,8-hexahydroazulen-2-yl)amino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[(3-cyano-1,4,5,6,7,8-hexahydroazulen-2-yl)carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[(3-cyano-1,4,5,6,7,8-hexahydroazulen-2-yl)thiocarbamoyl]thiophene-2-carboxamide Formula: C17H17N3OS2 MolecularWeight: 343.46638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)C(=C(C2)NC(=S)NC(=O)C3=CC=CS3)C#N

Isomeric SMILES

C1CCC2=C(CC1)C(=C(C2)NC(=S)NC(=O)C3=CC=CS3)C#N

InChI

InChI=1S/C17H17N3OS2/c18-10-13-12-6-3-1-2-5-11(12)9-14(13)19-17(22)20-16(21)15-7-4-8-23-15/h4,7-8H,1-3,5-6,9H2,(H2,19,20,21,22)