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

Systemtic Name: S-(3-piperidin-1-ylpropyl) 4-azanyl-2-propoxy-benzenecarbothioate Openeye Name: S-[3-(1-piperidyl)propyl] 4-amino-2-propoxy-benzenecarbothioate CAS Name: 4-amino-2-propoxybenzenecarbothioic acid S-[3-(1-piperidinyl)propyl] ester IUPAC Name: S-(3-piperidin-1-ylpropyl) 4-amino-2-propoxybenzenecarbothioate Traditional Name: 4-amino-2-propoxy-thiobenzoic acid S-(3-piperidinopropyl) ester Formula: C18H28N2O2S MolecularWeight: 336.49212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O2S/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