N-ethyl-3-(2-methylphenyl)-4-morpholin-4-ylcarbonyl-pyrrolidine-1-carbothioamide

Systemtic Name: N-ethyl-3-(2-methylphenyl)-4-morpholin-4-ylcarbonyl-pyrrolidine-1-carbothioamide Openeye Name: N-ethyl-3-(morpholine-4-carbonyl)-4-(o-tolyl)pyrrolidine-1-carbothioamide CAS Name: N-ethyl-3-(2-methylphenyl)-4-[4-morpholinyl(oxo)methyl]-1-pyrrolidinecarbothioamide IUPAC Name: N-ethyl-3-(2-methylphenyl)-4-(morpholine-4-carbonyl)pyrrolidine-1-carbothioamide Traditional Name: N-ethyl-3-(morpholine-4-carbonyl)-4-(o-tolyl)pyrrolidine-1-carbothioamide Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CC(C(C1)C(=O)N2CCOCC2)C3=CC=CC=C3C

Isomeric SMILES

CCNC(=S)N1CC(C(C1)C(=O)N2CCOCC2)C3=CC=CC=C3C

InChI

InChI=1S/C19H27N3O2S/c1-3-20-19(25)22-12-16(15-7-5-4-6-14(15)2)17(13-22)18(23)21-8-10-24-11-9-21/h4-7,16-17H,3,8-13H2,1-2H3,(H,20,25)