4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[1,1-bis(oxidanyl)-5-oxidanylidene-1,4-thiazepan-6-yl]piperazine-1-carboxamide

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[1,1-bis(oxidanyl)-5-oxidanylidene-1,4-thiazepan-6-yl]piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(1,1-dihydroxy-5-oxo-1,4-thiazepan-6-yl)piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-(1,1-dihydroxy-5-oxo-1,4-thiazepan-6-yl)-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-(1,1-dihydroxy-5-oxo-1,4-thiazepan-6-yl)piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-(1,1-dihydroxy-5-keto-1,4-thiazepan-6-yl)piperazine-1-carboxamide Formula: C19H25ClN6O4S MolecularWeight: 468.9576

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(CC(C(=O)N1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)(O)O

Isomeric SMILES

C1CS(CC(C(=O)N1)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N)(O)O

InChI

InChI=1S/C19H25ClN6O4S/c20-12-1-2-13-14(9-12)23-17(21)10-16(13)25-4-6-26(7-5-25)19(28)24-15-11-31(29,30)8-3-22-18(15)27/h1-2,9-10,15,29-30H,3-8,11H2,(H2,21,23)(H,22,27)(H,24,28)