4-(1-adamantyl)-4-azanyl-3-(3,4-dichlorophenyl)butanethioate hydrochloride

Systemtic Name: 4-(1-adamantyl)-4-azanyl-3-(3,4-dichlorophenyl)butanethioate hydrochloride Openeye Name: 4-(1-adamantyl)-4-amino-3-(3,4-dichlorophenyl)butanethioate hydrochloride CAS Name: 4-(1-adamantyl)-4-amino-3-(3,4-dichlorophenyl)butanethioate hydrochloride IUPAC Name: 4-(1-adamantyl)-4-amino-3-(3,4-dichlorophenyl)butanethioate hydrochloride Traditional Name: 4-(1-adamantyl)-4-amino-3-(3,4-dichlorophenyl)thiobutyrate hydrochloride Formula: C20H25Cl3NOS- MolecularWeight: 433.8426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(C(CC(=S)[O-])C4=CC(=C(C=C4)Cl)Cl)N.Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(C(CC(=S)[O-])C4=CC(=C(C=C4)Cl)Cl)N.Cl

InChI

InChI=1S/C20H25Cl2NOS.ClH/c21-16-2-1-14(6-17(16)22)15(7-18(24)25)19(23)20-8-11-3-12(9-20)5-13(4-11)10-20;/h1-2,6,11-13,15,19H,3-5,7-10,23H2,(H,24,25);1H/p-1