methyl 4-[2-[(4S)-1-(3-chlorophenyl)-5-oxidanylidene-3-phenethyl-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(4S)-1-(3-chlorophenyl)-5-oxidanylidene-3-phenethyl-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(4S)-1-(3-chlorophenyl)-5-oxo-3-phenethyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4S)-1-(3-chlorophenyl)-5-oxo-3-phenethyl-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4S)-1-(3-chlorophenyl)-5-oxo-3-phenethyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4S)-1-(3-chlorophenyl)-5-keto-3-phenethyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid methyl ester Formula: C27H24ClN3O4S MolecularWeight: 522.01516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C[C@H]2C(=O)N(C(=S)N2CCC3=CC=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H24ClN3O4S/c1-35-26(34)19-10-12-21(13-11-19)29-24(32)17-23-25(33)31(22-9-5-8-20(28)16-22)27(36)30(23)15-14-18-6-3-2-4-7-18/h2-13,16,23H,14-15,17H2,1H3,(H,29,32)/t23-/m0/s1