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

Systemtic Name: N-[(3-aminocarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiocarbamoyl]coumarilamide Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H19N3O3S2/c21-17(24)16-12-7-2-1-3-9-15(12)28-19(16)23-20(27)22-18(25)14-10-11-6-4-5-8-13(11)26-14/h4-6,8,10H,1-3,7,9H2,(H2,21,24)(H2,22,23,25,27)