N-[(3-aminocarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(3-aminocarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiocarbamoyl]-piperonylamide Formula: C19H19N3O4S2 MolecularWeight: 417.50186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19N3O4S2/c20-16(23)15-11-4-2-1-3-5-14(11)28-18(15)22-19(27)21-17(24)10-6-7-12-13(8-10)26-9-25-12/h6-8H,1-5,9H2,(H2,20,23)(H2,21,22,24,27)