4-(tert-butylamino)-3-(3,4-dichlorophenyl)butanethioic S-acid hydrochloride

Systemtic Name: 4-(tert-butylamino)-3-(3,4-dichlorophenyl)butanethioic S-acid hydrochloride Openeye Name: 4-(tert-butylamino)-3-(3,4-dichlorophenyl)butanethioic S-acid hydrochloride CAS Name: 4-(tert-butylamino)-3-(3,4-dichlorophenyl)butanethioic S-acid hydrochloride IUPAC Name: 4-(tert-butylamino)-3-(3,4-dichlorophenyl)butanethioic S-acid hydrochloride Traditional Name: 4-(tert-butylamino)-3-(3,4-dichlorophenyl)thiobutyric acid hydrochloride Formula: C14H20Cl3NOS MolecularWeight: 356.7387

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(CC(=O)S)C1=CC(=C(C=C1)Cl)Cl.Cl

Isomeric SMILES

CC(C)(C)NCC(CC(=O)S)C1=CC(=C(C=C1)Cl)Cl.Cl

InChI

InChI=1S/C14H19Cl2NOS.ClH/c1-14(2,3)17-8-10(7-13(18)19)9-4-5-11(15)12(16)6-9;/h4-6,10,17H,7-8H2,1-3H3,(H,18,19);1H