(7S)-7-aminocarbonyl-10-azaniumyl-11-(4-phenyl-1,3-thiazol-2-yl)-9-azaspiro[5.5]undeca-8,10-diene-8-thiolate

Systemtic Name: (7S)-7-aminocarbonyl-10-azaniumyl-11-(4-phenyl-1,3-thiazol-2-yl)-9-azaspiro[5.5]undeca-8,10-diene-8-thiolate Openeye Name: (7S)-10-azaniumyl-7-carbamoyl-11-(4-phenylthiazol-2-yl)-9-azaspiro[5.5]undeca-8,10-diene-8-thiolate CAS Name: (7S)-10-ammonio-7-carbamoyl-11-(4-phenyl-2-thiazolyl)-9-azaspiro[5.5]undeca-8,10-diene-8-thiolate IUPAC Name: (7S)-10-azaniumyl-7-carbamoyl-11-(4-phenyl-1,3-thiazol-2-yl)-9-azaspiro[5.5]undeca-8,10-diene-8-thiolate Traditional Name: (7S)-10-ammonio-7-carbamoyl-11-(4-phenylthiazol-2-yl)-9-azaspiro[5.5]undeca-8,10-diene-8-thiolate Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(C(=NC(=C2C3=NC(=CS3)C4=CC=CC=C4)[NH3+])[S-])C(=O)N

Isomeric SMILES

C1CCC2(CC1)[C@H](C(=NC(=C2C3=NC(=CS3)C4=CC=CC=C4)[NH3+])[S-])C(=O)N

InChI

InChI=1S/C20H22N4OS2/c21-16-14(19-23-13(11-27-19)12-7-3-1-4-8-12)20(9-5-2-6-10-20)15(17(22)25)18(26)24-16/h1,3-4,7-8,11,15H,2,5-6,9-10,21H2,(H2,22,25)(H,24,26)/t15-/m0/s1