N-(2-adamantylcarbamothioyl)-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-(2-adamantylcarbamothioyl)-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-adamantylcarbamothioyl)-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-(2-adamantylthiocarbamoyl)-3-chloro-benzothiophene-2-carboxamide Formula: C20H21ClN2OS2 MolecularWeight: 404.97654

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C20H21ClN2OS2/c21-16-14-3-1-2-4-15(14)26-18(16)19(24)23-20(25)22-17-12-6-10-5-11(8-12)9-13(17)7-10/h1-4,10-13,17H,5-9H2,(H2,22,23,24,25)