2-[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: 2-[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: 2-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl]sulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]thio]-3-phenyl-4-imidazolecarboxylate IUPAC Name: 2-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]sulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-[[(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl]thio]-3-phenyl-imidazole-4-carboxylate Formula: C21H18N3O3S- MolecularWeight: 392.45092

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)SC3=NC=C(N3C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C1CC1NC(=O)[C@H](C2=CC=CC=C2)SC3=NC=C(N3C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C21H19N3O3S/c25-19(23-15-11-12-15)18(14-7-3-1-4-8-14)28-21-22-13-17(20(26)27)24(21)16-9-5-2-6-10-16/h1-10,13,15,18H,11-12H2,(H,23,25)(H,26,27)/p-1/t18-/m0/s1