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

Systemtic Name: S-(2-piperidin-1-ylethyl) 4-azanyl-2-butoxy-benzenecarbothioate hydrochloride Openeye Name: S-[2-(1-piperidyl)ethyl] 4-amino-2-butoxy-benzenecarbothioate hydrochloride CAS Name: 4-amino-2-butoxybenzenecarbothioic acid S-[2-(1-piperidinyl)ethyl] ester hydrochloride IUPAC Name: S-(2-piperidin-1-ylethyl) 4-amino-2-butoxybenzenecarbothioate hydrochloride Traditional Name: 4-amino-2-butoxy-thiobenzoic acid S-(2-piperidinoethyl) ester hydrochloride Formula: C18H29ClN2O2S MolecularWeight: 372.95306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)N)C(=O)SCCN2CCCCC2.Cl

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)N)C(=O)SCCN2CCCCC2.Cl

InChI

InChI=1S/C18H28N2O2S.ClH/c1-2-3-12-22-17-14-15(19)7-8-16(17)18(21)23-13-11-20-9-5-4-6-10-20;/h7-8,14H,2-6,9-13,19H2,1H3;1H