ethane; O-piperidin-1-yl 4-tert-butylbenzenecarbothioate; hydrochloride

Systemtic Name: ethane; O-piperidin-1-yl 4-tert-butylbenzenecarbothioate; hydrochloride Openeye Name: ethane; O-(1-piperidyl) 4-tert-butylbenzenecarbothioate; hydrochloride CAS Name: 4-tert-butylbenzenecarbothioic acid O-(1-piperidinyl) ester; ethane; hydrochloride IUPAC Name: ethane; O-piperidin-1-yl 4-tert-butylbenzenecarbothioate; hydrochloride Traditional Name: 4-tert-butylthiobenzoic acid O-piperidino ester; ethane; hydrochloride Formula: C18H30ClNOS MolecularWeight: 343.9549

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Descriptors Computed from Structure

Canonical SMILES:

CC.CC(C)(C)C1=CC=C(C=C1)C(=S)ON2CCCCC2.Cl

Isomeric SMILES

CC.CC(C)(C)C1=CC=C(C=C1)C(=S)ON2CCCCC2.Cl

InChI

InChI=1S/C16H23NOS.C2H6.ClH/c1-16(2,3)14-9-7-13(8-10-14)15(19)18-17-11-5-4-6-12-17;1-2;/h7-10H,4-6,11-12H2,1-3H3;1-2H3;1H