N-[2-(1-adamantylamino)-1-(3,4-dichlorophenyl)ethyl]ethanethioamide

Systemtic Name: N-[2-(1-adamantylamino)-1-(3,4-dichlorophenyl)ethyl]ethanethioamide Openeye Name: N-[2-(1-adamantylamino)-1-(3,4-dichlorophenyl)ethyl]thioacetamide CAS Name: N-[2-(1-adamantylamino)-1-(3,4-dichlorophenyl)ethyl]ethanethioamide IUPAC Name: N-[2-(1-adamantylamino)-1-(3,4-dichlorophenyl)ethyl]ethanethioamide Traditional Name: N-[2-(1-adamantylamino)-1-(3,4-dichlorophenyl)ethyl]thioacetamide Formula: C20H26Cl2N2S MolecularWeight: 397.40484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC(CNC12CC3CC(C1)CC(C3)C2)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC(=S)NC(CNC12CC3CC(C1)CC(C3)C2)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H26Cl2N2S/c1-12(25)24-19(16-2-3-17(21)18(22)7-16)11-23-20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15,19,23H,4-6,8-11H2,1H3,(H,24,25)