4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[2-oxidanylidene-1-(propan-2-ylcarbamothioyl)azepan-3-yl]piperazine-1-carboxamide

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[2-oxidanylidene-1-(propan-2-ylcarbamothioyl)azepan-3-yl]piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[1-(isopropylcarbamothioyl)-2-oxo-azepan-3-yl]piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-[2-oxo-1-[(propan-2-ylamino)-sulfanylidenemethyl]-3-azepanyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-[2-oxo-1-(propan-2-ylcarbamothioyl)azepan-3-yl]piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[1-(isopropylthiocarbamoyl)-2-keto-azepan-3-yl]piperazine-1-carboxamide Formula: C24H32ClN7O2S MolecularWeight: 518.07458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N1CCCCC(C1=O)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N

Isomeric SMILES

CC(C)NC(=S)N1CCCCC(C1=O)NC(=O)N2CCN(CC2)C3=CC(=NC4=C3C=CC(=C4)Cl)N

InChI

InChI=1S/C24H32ClN7O2S/c1-15(2)27-24(35)32-8-4-3-5-18(22(32)33)29-23(34)31-11-9-30(10-12-31)20-14-21(26)28-19-13-16(25)6-7-17(19)20/h6-7,13-15,18H,3-5,8-12H2,1-2H3,(H2,26,28)(H,27,35)(H,29,34)