N-(2-dimethylaminoethyl)-3-[2-(2-phenoxyethylsulfanylmethyl)phenyl]benzamide; ethanedioic acid

Systemtic Name: N-(2-dimethylaminoethyl)-3-[2-(2-phenoxyethylsulfanylmethyl)phenyl]benzamide; ethanedioic acid Openeye Name: N-(2-dimethylaminoethyl)-3-[2-(2-phenoxyethylsulfanylmethyl)phenyl]benzamide; oxalic acid CAS Name: N-(2-dimethylaminoethyl)-3-[2-[(2-phenoxyethylthio)methyl]phenyl]benzamide; oxalic acid IUPAC Name: N-(2-dimethylaminoethyl)-3-[2-(2-phenoxyethylsulfanylmethyl)phenyl]benzamide; oxalic acid Traditional Name: N-(2-dimethylaminoethyl)-3-[2-[(2-phenoxyethylthio)methyl]phenyl]benzamide; oxalic acid Formula: C28H32N2O6S MolecularWeight: 524.62848

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=CC=CC(=C1)C2=CC=CC=C2CSCCOC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCNC(=O)C1=CC=CC(=C1)C2=CC=CC=C2CSCCOC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H30N2O2S.C2H2O4/c1-28(2)16-15-27-26(29)22-11-8-10-21(19-22)25-14-7-6-9-23(25)20-31-18-17-30-24-12-4-3-5-13-24;3-1(4)2(5)6/h3-14,19H,15-18,20H2,1-2H3,(H,27,29);(H,3,4)(H,5,6)