N-[3-(dimethylamino)propyl]-3-[4-(2-phenoxyethylsulfanylmethyl)phenyl]benzamide; ethanedioic acid

Systemtic Name: N-[3-(dimethylamino)propyl]-3-[4-(2-phenoxyethylsulfanylmethyl)phenyl]benzamide; ethanedioic acid Openeye Name: N-[3-(dimethylamino)propyl]-3-[4-(2-phenoxyethylsulfanylmethyl)phenyl]benzamide; oxalic acid CAS Name: N-[3-(dimethylamino)propyl]-3-[4-[(2-phenoxyethylthio)methyl]phenyl]benzamide; oxalic acid IUPAC Name: N-[3-(dimethylamino)propyl]-3-[4-(2-phenoxyethylsulfanylmethyl)phenyl]benzamide; oxalic acid Traditional Name: N-[3-(dimethylamino)propyl]-3-[4-[(2-phenoxyethylthio)methyl]phenyl]benzamide; oxalic acid Formula: C29H34N2O6S MolecularWeight: 538.65506

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)CSCCOC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCCNC(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)CSCCOC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H32N2O2S.C2H2O4/c1-29(2)17-7-16-28-27(30)25-9-6-8-24(20-25)23-14-12-22(13-15-23)21-32-19-18-31-26-10-4-3-5-11-26;3-1(4)2(5)6/h3-6,8-15,20H,7,16-19,21H2,1-2H3,(H,28,30);(H,3,4)(H,5,6)