N-[1-(1-adamantyl)ethylcarbamothioyl]-3,5-bis(chloranyl)-2-methoxy-benzamide

Systemtic Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-3,5-bis(chloranyl)-2-methoxy-benzamide Openeye Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-3,5-dichloro-2-methoxy-benzamide CAS Name: N-[[1-(1-adamantyl)ethylamino]-sulfanylidenemethyl]-3,5-dichloro-2-methoxybenzamide IUPAC Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-3,5-dichloro-2-methoxybenzamide Traditional Name: N-[1-(1-adamantyl)ethylthiocarbamoyl]-3,5-dichloro-2-methoxy-benzamide Formula: C21H26Cl2N2O2S MolecularWeight: 441.41434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C4=CC(=CC(=C4OC)Cl)Cl

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C4=CC(=CC(=C4OC)Cl)Cl

InChI

InChI=1S/C21H26Cl2N2O2S/c1-11(21-8-12-3-13(9-21)5-14(4-12)10-21)24-20(28)25-19(26)16-6-15(22)7-17(23)18(16)27-2/h6-7,11-14H,3-5,8-10H2,1-2H3,(H2,24,25,26,28)