S-(2-piperidin-1-ylethyl) 4-azanyl-2-propoxy-benzenecarbothioate hydrochloride

Systemtic Name: S-(2-piperidin-1-ylethyl) 4-azanyl-2-propoxy-benzenecarbothioate hydrochloride Openeye Name: S-[2-(1-piperidyl)ethyl] 4-amino-2-propoxy-benzenecarbothioate hydrochloride CAS Name: 4-amino-2-propoxybenzenecarbothioic acid S-[2-(1-piperidinyl)ethyl] ester hydrochloride IUPAC Name: S-(2-piperidin-1-ylethyl) 4-amino-2-propoxybenzenecarbothioate hydrochloride Traditional Name: 4-amino-2-propoxy-thiobenzoic acid S-(2-piperidinoethyl) ester hydrochloride Formula: C17H27ClN2O2S MolecularWeight: 358.92648

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)N)C(=O)SCCN2CCCCC2.Cl

Isomeric SMILES

CCCOC1=C(C=CC(=C1)N)C(=O)SCCN2CCCCC2.Cl

InChI

InChI=1S/C17H26N2O2S.ClH/c1-2-11-21-16-13-14(18)6-7-15(16)17(20)22-12-10-19-8-4-3-5-9-19;/h6-7,13H,2-5,8-12,18H2,1H3;1H