(5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione

Systemtic Name: (5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione Openeye Name: (5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4-dione CAS Name: (5S)-5-(3,4-dimethylphenyl)-3-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]methyl]-5-phenylimidazolidine-2,4-dione IUPAC Name: (5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4-dione Traditional Name: (5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-[[4-(2-thenoyl)piperazin-1-ium-1-yl]methyl]hydantoin Formula: C27H29N4O3S+ MolecularWeight: 489.60916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2(C(=O)N(C(=O)N2)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@]2(C(=O)N(C(=O)N2)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H28N4O3S/c1-19-10-11-22(17-20(19)2)27(21-7-4-3-5-8-21)25(33)31(26(34)28-27)18-29-12-14-30(15-13-29)24(32)23-9-6-16-35-23/h3-11,16-17H,12-15,18H2,1-2H3,(H,28,34)/p+1/t27-/m0/s1