N-(3,4-dimethylphenyl)-2-(3-phenylsulfanylpropylamino)ethanamide; ethanedioic acid

Systemtic Name: N-(3,4-dimethylphenyl)-2-(3-phenylsulfanylpropylamino)ethanamide; ethanedioic acid Openeye Name: N-(3,4-dimethylphenyl)-2-(3-phenylsulfanylpropylamino)acetamide; oxalic acid CAS Name: N-(3,4-dimethylphenyl)-2-[3-(phenylthio)propylamino]acetamide; oxalic acid IUPAC Name: N-(3,4-dimethylphenyl)-2-(3-phenylsulfanylpropylamino)acetamide; oxalic acid Traditional Name: N-(3,4-dimethylphenyl)-2-[3-(phenylthio)propylamino]acetamide; oxalic acid Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNCCCSC2=CC=CC=C2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNCCCSC2=CC=CC=C2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24N2OS.C2H2O4/c1-15-9-10-17(13-16(15)2)21-19(22)14-20-11-6-12-23-18-7-4-3-5-8-18;3-1(4)2(5)6/h3-5,7-10,13,20H,6,11-12,14H2,1-2H3,(H,21,22);(H,3,4)(H,5,6)