S-(3-piperidin-1-ylpropyl) 4-azanyl-2-propoxy-benzenecarbothioate dihydrochloride

Systemtic Name: S-(3-piperidin-1-ylpropyl) 4-azanyl-2-propoxy-benzenecarbothioate dihydrochloride Openeye Name: S-[3-(1-piperidyl)propyl] 4-amino-2-propoxy-benzenecarbothioate dihydrochloride CAS Name: 4-amino-2-propoxybenzenecarbothioic acid S-[3-(1-piperidinyl)propyl] ester dihydrochloride IUPAC Name: S-(3-piperidin-1-ylpropyl) 4-amino-2-propoxybenzenecarbothioate dihydrochloride Traditional Name: 4-amino-2-propoxy-thiobenzoic acid S-(3-piperidinopropyl) 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)SCCCN2CCCCC2.Cl.Cl

Isomeric SMILES

CCCOC1=C(C=CC(=C1)N)C(=O)SCCCN2CCCCC2.Cl.Cl

InChI

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