N-[1-(1,3-benzothiazol-2-yl)-5-(diazanylmethylideneamino)-1-oxidanylidene-pentan-2-yl]-1-ethanoyl-4-oxidanyl-pyrrolidine-2-carboxamide sulfate

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-5-(diazanylmethylideneamino)-1-oxidanylidene-pentan-2-yl]-1-ethanoyl-4-oxidanyl-pyrrolidine-2-carboxamide sulfate Openeye Name: 1-acetyl-N-[1-(1,3-benzothiazole-2-carbonyl)-4-(hydrazinomethyleneamino)butyl]-4-hydroxy-pyrrolidine-2-carboxamide sulfate CAS Name: 1-acetyl-N-[1-(1,3-benzothiazol-2-yl)-5-(hydrazinylmethylideneamino)-1-oxopentan-2-yl]-4-hydroxy-2-pyrrolidinecarboxamide sulfate IUPAC Name: 1-acetyl-N-[1-(1,3-benzothiazol-2-yl)-5-(hydrazinylmethylideneamino)-1-oxopentan-2-yl]-4-hydroxypyrrolidine-2-carboxamide sulfate Traditional Name: 1-acetyl-N-[1-(1,3-benzothiazole-2-carbonyl)-4-(hydrazinomethyleneamino)butyl]-4-hydroxy-pyrrolidine-2-carboxamide sulfate Formula: C20H26N6O8S2-2 MolecularWeight: 542.58584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)NC(CCCN=CNN)C(=O)C2=NC3=CC=CC=C3S2)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC(=O)N1CC(CC1C(=O)NC(CCCN=CNN)C(=O)C2=NC3=CC=CC=C3S2)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C20H26N6O4S.H2O4S/c1-12(27)26-10-13(28)9-16(26)19(30)24-15(6-4-8-22-11-23-21)18(29)20-25-14-5-2-3-7-17(14)31-20;1-5(2,3)4/h2-3,5,7,11,13,15-16,28H,4,6,8-10,21H2,1H3,(H,22,23)(H,24,30);(H2,1,2,3,4)/p-2