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

Systemtic Name: S-(3-piperidin-1-ylpropyl) 4-azanyl-2-butoxy-benzenecarbothioate Openeye Name: S-[3-(1-piperidyl)propyl] 4-amino-2-butoxy-benzenecarbothioate CAS Name: 4-amino-2-butoxybenzenecarbothioic acid S-[3-(1-piperidinyl)propyl] ester IUPAC Name: S-(3-piperidin-1-ylpropyl) 4-amino-2-butoxybenzenecarbothioate Traditional Name: 4-amino-2-butoxy-thiobenzoic acid S-(3-piperidinopropyl) ester Formula: C19H30N2O2S MolecularWeight: 350.5187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)N)C(=O)SCCCN2CCCCC2

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)N)C(=O)SCCCN2CCCCC2

InChI

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