N-[1-(1-adamantyl)ethylcarbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[[1-(1-adamantyl)ethylamino]-sulfanylidenemethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[1-(1-adamantyl)ethylthiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C22H25ClN2OS2 MolecularWeight: 433.0297

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C22H25ClN2OS2/c1-12(22-9-13-6-14(10-22)8-15(7-13)11-22)24-21(27)25-20(26)19-18(23)16-4-2-3-5-17(16)28-19/h2-5,12-15H,6-11H2,1H3,(H2,24,25,26,27)