S-(2-diethylaminoethyl) 4-tert-butylbenzenecarbothioate hydrochloride

Systemtic Name: S-(2-diethylaminoethyl) 4-tert-butylbenzenecarbothioate hydrochloride Openeye Name: S-(2-diethylaminoethyl) 4-tert-butylbenzenecarbothioate hydrochloride CAS Name: 4-tert-butylbenzenecarbothioic acid S-(2-diethylaminoethyl) ester hydrochloride IUPAC Name: S-(2-diethylaminoethyl) 4-tert-butylbenzenecarbothioate hydrochloride Traditional Name: 4-tert-butylthiobenzoic acid S-(2-diethylaminoethyl) ester hydrochloride Formula: C17H28ClNOS MolecularWeight: 329.92832

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC(=O)C1=CC=C(C=C1)C(C)(C)C.Cl

Isomeric SMILES

CCN(CC)CCSC(=O)C1=CC=C(C=C1)C(C)(C)C.Cl

InChI

InChI=1S/C17H27NOS.ClH/c1-6-18(7-2)12-13-20-16(19)14-8-10-15(11-9-14)17(3,4)5;/h8-11H,6-7,12-13H2,1-5H3;1H