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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

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