N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-(4-propylpiperazin-1-yl)ethanamide; ethanedioic acid

Systemtic Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-(4-propylpiperazin-1-yl)ethanamide; ethanedioic acid Openeye Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-(4-propylpiperazin-1-yl)acetamide; oxalic acid CAS Name: N-[4-[(2,4-dimethylphenyl)thio]phenyl]-2-(4-propyl-1-piperazinyl)acetamide; oxalic acid IUPAC Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-(4-propylpiperazin-1-yl)acetamide; oxalic acid Traditional Name: N-[4-[(2,4-dimethylphenyl)thio]phenyl]-2-(4-propylpiperazino)acetamide; oxalic acid Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)CC(=O)NC2=CC=C(C=C2)SC3=C(C=C(C=C3)C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCN1CCN(CC1)CC(=O)NC2=CC=C(C=C2)SC3=C(C=C(C=C3)C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H31N3OS.C2H2O4/c1-4-11-25-12-14-26(15-13-25)17-23(27)24-20-6-8-21(9-7-20)28-22-10-5-18(2)16-19(22)3;3-1(4)2(5)6/h5-10,16H,4,11-15,17H2,1-3H3,(H,24,27);(H,3,4)(H,5,6)