N-(diphenylmethyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propanamide; ethanedioic acid

Systemtic Name: N-(diphenylmethyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propanamide; ethanedioic acid Openeye Name: N-benzhydryl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide; oxalic acid CAS Name: N-(diphenylmethyl)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]propanamide; oxalic acid IUPAC Name: N-benzhydryl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide; oxalic acid Traditional Name: N-benzhydryl-2-[4-(2-thenoyl)piperazino]propionamide; oxalic acid Formula: C27H29N3O6S MolecularWeight: 523.60066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CS4.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CS4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H27N3O2S.C2H2O4/c1-19(27-14-16-28(17-15-27)25(30)22-13-8-18-31-22)24(29)26-23(20-9-4-2-5-10-20)21-11-6-3-7-12-21;3-1(4)2(5)6/h2-13,18-19,23H,14-17H2,1H3,(H,26,29);(H,3,4)(H,5,6)