S-[2-(2-methylpiperidin-1-yl)ethyl] 4-azanyl-2-propoxy-benzenecarbothioate dihydrochloride

Systemtic Name: S-[2-(2-methylpiperidin-1-yl)ethyl] 4-azanyl-2-propoxy-benzenecarbothioate dihydrochloride Openeye Name: S-[2-(2-methyl-1-piperidyl)ethyl] 4-amino-2-propoxy-benzenecarbothioate dihydrochloride CAS Name: 4-amino-2-propoxybenzenecarbothioic acid S-[2-(2-methyl-1-piperidinyl)ethyl] ester dihydrochloride IUPAC Name: S-[2-(2-methylpiperidin-1-yl)ethyl] 4-amino-2-propoxybenzenecarbothioate dihydrochloride Traditional Name: 4-amino-2-propoxy-thiobenzoic acid S-[2-(2-methylpiperidino)ethyl] ester dihydrochloride Formula: C18H30Cl2N2O2S MolecularWeight: 409.414

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)N)C(=O)SCCN2CCCCC2C.Cl.Cl

Isomeric SMILES

CCCOC1=C(C=CC(=C1)N)C(=O)SCCN2CCCCC2C.Cl.Cl

InChI

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