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

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[(6R)-1,1,5-tris(oxidanylidene)-1,4-thiazepan-6-yl]piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[(6R)-1,1,5-trioxo-1,4-thiazepan-6-yl]piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-[(6R)-1,1,5-trioxo-1,4-thiazepan-6-yl]-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-[(6R)-1,1,5-trioxo-1,4-thiazepan-6-yl]piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[(6R)-1,1,5-triketo-1,4-thiazepan-6-yl]piperazine-1-carboxamide Formula: C19H23ClN6O4S MolecularWeight: 466.94172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN6O4S/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/h1-2,9-10,15H,3-8,11H2,(H2,21,23)(H,22,27)(H,24,28)/t15-/m0/s1