N-[1-(2-carbamothioylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-5-oxidanylidene-pyrrolidine-2-carboxamide

Systemtic Name: N-[1-(2-carbamothioylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-5-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: N-[2-(2-carbamothioylpyrrolidin-1-yl)-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxamide CAS Name: N-[1-(2-carbamothioyl-1-pyrrolidinyl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxo-2-pyrrolidinecarboxamide IUPAC Name: N-[1-(2-carbamothioylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide Traditional Name: N-[1-(1H-imidazol-5-ylmethyl)-2-keto-2-(2-thiocarbamoylpyrrolidino)ethyl]-5-keto-pyrrolidine-2-carboxamide Formula: C16H22N6O3S MolecularWeight: 378.44928

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CCC(=O)N3)C(=S)N

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CCC(=O)N3)C(=S)N

InChI

InChI=1S/C16H22N6O3S/c17-14(26)12-2-1-5-22(12)16(25)11(6-9-7-18-8-19-9)21-15(24)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,26)(H,18,19)(H,20,23)(H,21,24)