methyl (2S)-2-[[3-[[(1S)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl]carbamothioyl]phenyl]carbothioylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[[3-[[(1S)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl]carbamothioyl]phenyl]carbothioylamino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[3-[[(1S)-2-methoxy-2-oxo-1-phenyl-ethyl]carbamothioyl]benzenecarbothioyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[[3-[[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]-sulfanylidenemethyl]phenyl]-sulfanylidenemethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-[[(1S)-2-methoxy-2-oxo-1-phenylethyl]carbamothioyl]benzenecarbothioyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[3-[[(1S)-2-keto-2-methoxy-1-phenyl-ethyl]thiocarbamoyl]thiobenzoyl]amino]-2-phenyl-acetic acid methyl ester Formula: C26H24N2O4S2 MolecularWeight: 492.60976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NC(=S)C2=CC(=CC=C2)C(=S)NC(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)NC(=S)C2=CC(=CC=C2)C(=S)N[C@@H](C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C26H24N2O4S2/c1-31-25(29)21(17-10-5-3-6-11-17)27-23(33)19-14-9-15-20(16-19)24(34)28-22(26(30)32-2)18-12-7-4-8-13-18/h3-16,21-22H,1-2H3,(H,27,33)(H,28,34)/t21-,22-/m0/s1