N-[(3-aminocarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-5-[2,3-bis(chloranyl)phenyl]furan-2-carboxamide

Systemtic Name: N-[(3-aminocarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-5-[2,3-bis(chloranyl)phenyl]furan-2-carboxamide Openeye Name: N-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide CAS Name: N-[[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]-5-(2,3-dichlorophenyl)-2-furancarboxamide IUPAC Name: N-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide Traditional Name: N-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiocarbamoyl]-5-(2,3-dichlorophenyl)-2-furamide Formula: C22H19Cl2N3O3S2 MolecularWeight: 508.44056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC=C(O3)C4=C(C(=CC=C4)Cl)Cl

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC=C(O3)C4=C(C(=CC=C4)Cl)Cl

InChI

InChI=1S/C22H19Cl2N3O3S2/c23-13-7-4-6-11(18(13)24)14-9-10-15(30-14)20(29)26-22(31)27-21-17(19(25)28)12-5-2-1-3-8-16(12)32-21/h4,6-7,9-10H,1-3,5,8H2,(H2,25,28)(H2,26,27,29,31)