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

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[2-oxidanylidene-1-(prop-2-enylcarbamothioyl)azepan-3-yl]piperazine-1-carboxamide Openeye Name: N-[1-(allylcarbamothioyl)-2-oxo-azepan-3-yl]-4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-[2-oxo-1-[(prop-2-enylamino)-sulfanylidenemethyl]-3-azepanyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-[2-oxo-1-(prop-2-enylcarbamothioyl)azepan-3-yl]piperazine-1-carboxamide Traditional Name: N-[1-(allylthiocarbamoyl)-2-keto-azepan-3-yl]-4-(2-amino-7-chloro-4-quinolyl)piperazine-1-carboxamide Formula: C24H30ClN7O2S MolecularWeight: 516.0587

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30ClN7O2S/c1-2-8-27-24(35)32-9-4-3-5-18(22(32)33)29-23(34)31-12-10-30(11-13-31)20-15-21(26)28-19-14-16(25)6-7-17(19)20/h2,6-7,14-15,18H,1,3-5,8-13H2,(H2,26,28)(H,27,35)(H,29,34)