S-(3-piperidin-1-ylpropyl) 4-(butylamino)benzenecarbothioate dihydrochloride

Systemtic Name: S-(3-piperidin-1-ylpropyl) 4-(butylamino)benzenecarbothioate dihydrochloride Openeye Name: S-[3-(1-piperidyl)propyl] 4-(butylamino)benzenecarbothioate dihydrochloride CAS Name: 4-(butylamino)benzenecarbothioic acid S-[3-(1-piperidinyl)propyl] ester dihydrochloride IUPAC Name: S-(3-piperidin-1-ylpropyl) 4-(butylamino)benzenecarbothioate dihydrochloride Traditional Name: 4-(butylamino)thiobenzoic acid S-(3-piperidinopropyl) ester dihydrochloride Formula: C19H32Cl2N2OS MolecularWeight: 407.44118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=C(C=C1)C(=O)SCCCN2CCCCC2.Cl.Cl

Isomeric SMILES

CCCCNC1=CC=C(C=C1)C(=O)SCCCN2CCCCC2.Cl.Cl

InChI

InChI=1S/C19H30N2OS.2ClH/c1-2-3-12-20-18-10-8-17(9-11-18)19(22)23-16-7-15-21-13-5-4-6-14-21;;/h8-11,20H,2-7,12-16H2,1H3;2*1H