S-[2-(2-methylpiperidin-1-yl)ethyl] 4-azanyl-2-butoxy-benzenecarbothioate hydrochloride

Systemtic Name: S-[2-(2-methylpiperidin-1-yl)ethyl] 4-azanyl-2-butoxy-benzenecarbothioate hydrochloride Openeye Name: S-[2-(2-methyl-1-piperidyl)ethyl] 4-amino-2-butoxy-benzenecarbothioate hydrochloride CAS Name: 4-amino-2-butoxybenzenecarbothioic acid S-[2-(2-methyl-1-piperidinyl)ethyl] ester hydrochloride IUPAC Name: S-[2-(2-methylpiperidin-1-yl)ethyl] 4-amino-2-butoxybenzenecarbothioate hydrochloride Traditional Name: 4-amino-2-butoxy-thiobenzoic acid S-[2-(2-methylpiperidino)ethyl] ester hydrochloride Formula: C19H31ClN2O2S MolecularWeight: 386.97964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)N)C(=O)SCCN2CCCCC2C.Cl

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)N)C(=O)SCCN2CCCCC2C.Cl

InChI

InChI=1S/C19H30N2O2S.ClH/c1-3-4-12-23-18-14-16(20)8-9-17(18)19(22)24-13-11-21-10-6-5-7-15(21)2;/h8-9,14-15H,3-7,10-13,20H2,1-2H3;1H