N-[1-(1-adamantyl)ethylcarbamothioyl]-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-3,6-dichloro-benzothiophene-2-carboxamide CAS Name: N-[[1-(1-adamantyl)ethylamino]-sulfanylidenemethyl]-3,6-dichloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-3,6-dichloro-1-benzothiophene-2-carboxamide Traditional Name: N-[1-(1-adamantyl)ethylthiocarbamoyl]-3,6-dichloro-benzothiophene-2-carboxamide Formula: C22H24Cl2N2OS2 MolecularWeight: 467.47476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

InChI

InChI=1S/C22H24Cl2N2OS2/c1-11(22-8-12-4-13(9-22)6-14(5-12)10-22)25-21(28)26-20(27)19-18(24)16-3-2-15(23)7-17(16)29-19/h2-3,7,11-14H,4-6,8-10H2,1H3,(H2,25,26,27,28)