N-(1-adamantylcarbamothioyl)-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide Openeye Name: N-(1-adamantylcarbamothioyl)-3,6-dichloro-benzothiophene-2-carboxamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-3,6-dichloro-1-benzothiophene-2-carboxamide IUPAC Name: N-(1-adamantylcarbamothioyl)-3,6-dichloro-1-benzothiophene-2-carboxamide Traditional Name: N-(1-adamantylthiocarbamoyl)-3,6-dichloro-benzothiophene-2-carboxamide Formula: C20H20Cl2N2OS2 MolecularWeight: 439.4216

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

InChI

InChI=1S/C20H20Cl2N2OS2/c21-13-1-2-14-15(6-13)27-17(16(14)22)18(25)23-19(26)24-20-7-10-3-11(8-20)5-12(4-10)9-20/h1-2,6,10-12H,3-5,7-9H2,(H2,23,24,25,26)