4-[(2-chloranyl-6-methyl-phenyl)-[3-(5-oxidanylidene-4-phenyl-2-sulfanylidene-imidazolidin-1-yl)propyl]amino]butanoic acid

Systemtic Name: 4-[(2-chloranyl-6-methyl-phenyl)-[3-(5-oxidanylidene-4-phenyl-2-sulfanylidene-imidazolidin-1-yl)propyl]amino]butanoic acid Openeye Name: 4-[2-chloro-6-methyl-N-[3-(5-oxo-4-phenyl-2-thioxo-imidazolidin-1-yl)propyl]anilino]butanoic acid CAS Name: 4-[2-chloro-6-methyl-N-[3-(5-oxo-4-phenyl-2-sulfanylidene-1-imidazolidinyl)propyl]anilino]butanoic acid IUPAC Name: 4-[2-chloro-6-methyl-N-[3-(5-oxo-4-phenyl-2-sulfanylideneimidazolidin-1-yl)propyl]anilino]butanoic acid Traditional Name: 4-[2-chloro-N-[3-(5-keto-4-phenyl-2-thioxo-imidazolidin-1-yl)propyl]-6-methyl-anilino]butyric acid Formula: C23H26ClN3O3S MolecularWeight: 459.98884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)N(CCCC(=O)O)CCCN2C(=O)C(NC2=S)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)N(CCCC(=O)O)CCCN2C(=O)C(NC2=S)C3=CC=CC=C3

InChI

InChI=1S/C23H26ClN3O3S/c1-16-8-5-11-18(24)21(16)26(13-6-12-19(28)29)14-7-15-27-22(30)20(25-23(27)31)17-9-3-2-4-10-17/h2-5,8-11,20H,6-7,12-15H2,1H3,(H,25,31)(H,28,29)