N-(2-diethylaminoethyl)-3-(4-methylphenyl)sulfanyl-pyrrolidine-1-carboxamide; ethanedioic acid

Systemtic Name: N-(2-diethylaminoethyl)-3-(4-methylphenyl)sulfanyl-pyrrolidine-1-carboxamide; ethanedioic acid Openeye Name: N-(2-diethylaminoethyl)-3-(p-tolylsulfanyl)pyrrolidine-1-carboxamide; oxalic acid CAS Name: N-(2-diethylaminoethyl)-3-[(4-methylphenyl)thio]-1-pyrrolidinecarboxamide; oxalic acid IUPAC Name: N-(2-diethylaminoethyl)-3-(4-methylphenyl)sulfanylpyrrolidine-1-carboxamide; oxalic acid Traditional Name: N-(2-diethylaminoethyl)-3-(p-tolylthio)pyrrolidine-1-carboxamide; oxalic acid Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)N1CCC(C1)SC2=CC=C(C=C2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCNC(=O)N1CCC(C1)SC2=CC=C(C=C2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H29N3OS.C2H2O4/c1-4-20(5-2)13-11-19-18(22)21-12-10-17(14-21)23-16-8-6-15(3)7-9-16;3-1(4)2(5)6/h6-9,17H,4-5,10-14H2,1-3H3,(H,19,22);(H,3,4)(H,5,6)