N-cyclohexyl-2-oxidanylidene-2-[1-[3-phenyl-2-(2-phenylethanethioylamino)propanoyl]pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclohexyl-2-oxidanylidene-2-[1-[3-phenyl-2-(2-phenylethanethioylamino)propanoyl]pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-cyclohexyl-2-oxo-2-[1-[3-phenyl-2-[(2-phenylethanethioyl)amino]propanoyl]pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-cyclohexyl-2-oxo-2-[1-[1-oxo-3-phenyl-2-[(2-phenyl-1-sulfanylideneethyl)amino]propyl]-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-cyclohexyl-2-oxo-2-[1-[3-phenyl-2-[(2-phenylethanethioyl)amino]propanoyl]pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-cyclohexyl-2-keto-2-[1-[3-phenyl-2-[(2-phenylthioacetyl)amino]propanoyl]pyrrolidin-1-ium-1-yl]acetamide Formula: C29H36N3O3S+ MolecularWeight: 506.67944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(=O)[N+]2(CCCC2)C(=O)C(CC3=CC=CC=C3)NC(=S)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)C(=O)[N+]2(CCCC2)C(=O)C(CC3=CC=CC=C3)NC(=S)CC4=CC=CC=C4

InChI

InChI=1S/C29H35N3O3S/c33-27(30-24-16-8-3-9-17-24)29(35)32(18-10-11-19-32)28(34)25(20-22-12-4-1-5-13-22)31-26(36)21-23-14-6-2-7-15-23/h1-2,4-7,12-15,24-25H,3,8-11,16-21H2,(H-,30,31,33,36)/p+1