2-methoxy-4-methyl-5-nonyl-3-pyrrolidin-3-yl-benzenecarbothioamide hydrochloride

Systemtic Name: 2-methoxy-4-methyl-5-nonyl-3-pyrrolidin-3-yl-benzenecarbothioamide hydrochloride Openeye Name: 2-methoxy-4-methyl-5-nonyl-3-pyrrolidin-3-yl-benzenecarbothioamide hydrochloride CAS Name: 2-methoxy-4-methyl-5-nonyl-3-(3-pyrrolidinyl)benzenecarbothioamide hydrochloride IUPAC Name: 2-methoxy-4-methyl-5-nonyl-3-pyrrolidin-3-ylbenzenecarbothioamide hydrochloride Traditional Name: 2-methoxy-4-methyl-5-nonyl-3-pyrrolidin-3-yl-thiobenzamide hydrochloride Formula: C22H37ClN2OS MolecularWeight: 413.05998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C(=C1)C(=S)N)OC)C2CCNC2)C.Cl

Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C(=C1)C(=S)N)OC)C2CCNC2)C.Cl

InChI

InChI=1S/C22H36N2OS.ClH/c1-4-5-6-7-8-9-10-11-17-14-19(22(23)26)21(25-3)20(16(17)2)18-12-13-24-15-18;/h14,18,24H,4-13,15H2,1-3H3,(H2,23,26);1H