2-[(1-adamantylamino)methyl]-3-(3,4-dichlorophenyl)propanethioamide

Systemtic Name: 2-[(1-adamantylamino)methyl]-3-(3,4-dichlorophenyl)propanethioamide Openeye Name: 2-[(1-adamantylamino)methyl]-3-(3,4-dichlorophenyl)propanethioamide CAS Name: 2-[(1-adamantylamino)methyl]-3-(3,4-dichlorophenyl)propanethioamide IUPAC Name: 2-[(1-adamantylamino)methyl]-3-(3,4-dichlorophenyl)propanethioamide Traditional Name: 2-[(1-adamantylamino)methyl]-3-(3,4-dichlorophenyl)thiopropionamide Formula: C20H26Cl2N2S MolecularWeight: 397.40484

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NCC(CC4=CC(=C(C=C4)Cl)Cl)C(=S)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NCC(CC4=CC(=C(C=C4)Cl)Cl)C(=S)N

InChI

InChI=1S/C20H26Cl2N2S/c21-17-2-1-12(7-18(17)22)6-16(19(23)25)11-24-20-8-13-3-14(9-20)5-15(4-13)10-20/h1-2,7,13-16,24H,3-6,8-11H2,(H2,23,25)