2-[(5S)-2-(3,5-dimethylphenyl)imino-4-oxidanylidene-5-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,3-thiazolidin-3-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5S)-2-(3,5-dimethylphenyl)imino-4-oxidanylidene-5-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,3-thiazolidin-3-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(5S)-5-(2-anilino-2-oxo-ethyl)-2-(3,5-dimethylphenyl)imino-4-oxo-thiazolidin-3-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(5S)-5-(2-anilino-2-oxoethyl)-2-(3,5-dimethylphenyl)imino-4-oxo-3-thiazolidinyl]ethyl-dimethylammonium IUPAC Name: 2-[(5S)-5-(2-anilino-2-oxoethyl)-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]ethyl-dimethylazanium Traditional Name: 2-[(5S)-5-(2-anilino-2-keto-ethyl)-2-(3,5-dimethylphenyl)imino-4-keto-thiazolidin-3-yl]ethyl-dimethyl-ammonium Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N=C2N(C(=O)C(S2)CC(=O)NC3=CC=CC=C3)CC[NH+](C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N=C2N(C(=O)[C@@H](S2)CC(=O)NC3=CC=CC=C3)CC[NH+](C)C)C

InChI

InChI=1S/C23H28N4O2S/c1-16-12-17(2)14-19(13-16)25-23-27(11-10-26(3)4)22(29)20(30-23)15-21(28)24-18-8-6-5-7-9-18/h5-9,12-14,20H,10-11,15H2,1-4H3,(H,24,28)/p+1/t20-/m0/s1