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

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[1-(ethylcarbamothioyl)-2-oxidanylidene-azepan-3-yl]piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[1-(ethylcarbamothioyl)-2-oxo-azepan-3-yl]piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-[1-[ethylamino(sulfanylidene)methyl]-2-oxo-3-azepanyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-[1-(ethylcarbamothioyl)-2-oxoazepan-3-yl]piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[1-(ethylthiocarbamoyl)-2-keto-azepan-3-yl]piperazine-1-carboxamide Formula: C23H30ClN7O2S MolecularWeight: 504.048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN7O2S/c1-2-26-23(34)31-8-4-3-5-17(21(31)32)28-22(33)30-11-9-29(10-12-30)19-14-20(25)27-18-13-15(24)6-7-16(18)19/h6-7,13-14,17H,2-5,8-12H2,1H3,(H2,25,27)(H,26,34)(H,28,33)