ethane; O-morpholin-4-yl 4-tert-butylbenzenecarbothioate; hydrochloride

Systemtic Name: ethane; O-morpholin-4-yl 4-tert-butylbenzenecarbothioate; hydrochloride Openeye Name: ethane; O-morpholino 4-tert-butylbenzenecarbothioate; hydrochloride CAS Name: 4-tert-butylbenzenecarbothioic acid O-(4-morpholinyl) ester; ethane; hydrochloride IUPAC Name: ethane; O-morpholin-4-yl 4-tert-butylbenzenecarbothioate; hydrochloride Traditional Name: 4-tert-butylthiobenzoic acid O-morpholino ester; ethane; hydrochloride Formula: C17H28ClNO2S MolecularWeight: 345.92772

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Descriptors Computed from Structure

Canonical SMILES:

CC.CC(C)(C)C1=CC=C(C=C1)C(=S)ON2CCOCC2.Cl

Isomeric SMILES

CC.CC(C)(C)C1=CC=C(C=C1)C(=S)ON2CCOCC2.Cl

InChI

InChI=1S/C15H21NO2S.C2H6.ClH/c1-15(2,3)13-6-4-12(5-7-13)14(19)18-16-8-10-17-11-9-16;1-2;/h4-7H,8-11H2,1-3H3;1-2H3;1H