N-phenanthro[9,10-b]quinoxalin-11-ylazepane-1-carbothioamide

Systemtic Name: N-phenanthro[9,10-b]quinoxalin-11-ylazepane-1-carbothioamide Openeye Name: N-phenanthro[9,10-b]quinoxalin-11-ylazepane-1-carbothioamide CAS Name: N-(11-phenanthro[9,10-b]quinoxalinyl)-1-azepanecarbothioamide IUPAC Name: N-phenanthro[9,10-b]quinoxalin-11-ylazepane-1-carbothioamide Traditional Name: N-phenanthro[9,10-b]quinoxalin-11-ylazepane-1-carbothioamide Formula: C27H24N4S MolecularWeight: 436.57126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C4C5=CC=CC=C5C6=CC=CC=C6C4=N3

Isomeric SMILES

C1CCCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C4C5=CC=CC=C5C6=CC=CC=C6C4=N3

InChI

InChI=1S/C27H24N4S/c32-27(31-15-7-1-2-8-16-31)28-18-13-14-23-24(17-18)30-26-22-12-6-4-10-20(22)19-9-3-5-11-21(19)25(26)29-23/h3-6,9-14,17H,1-2,7-8,15-16H2,(H,28,32)