O-(6H-indolo[2,3-b]quinoxalin-2-yl) azepane-1-carbothioate

Systemtic Name: O-(6H-indolo[2,3-b]quinoxalin-2-yl) azepane-1-carbothioate Openeye Name: O-(6H-indolo[2,3-b]quinoxalin-2-yl) azepane-1-carbothioate CAS Name: 1-azepanecarbothioic acid O-(6H-indolo[2,3-b]quinoxalin-2-yl) ester IUPAC Name: O-(6H-indolo[2,3-b]quinoxalin-2-yl) azepane-1-carbothioate Traditional Name: azepane-1-carbothioic acid O-(6H-indolo[2,3-b]quinoxalin-2-yl) ester Formula: C21H20N4OS MolecularWeight: 376.4747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)OC2=CC3=C(C=C2)N=C4C(=N3)C5=CC=CC=C5N4

Isomeric SMILES

C1CCCN(CC1)C(=S)OC2=CC3=C(C=C2)N=C4C(=N3)C5=CC=CC=C5N4

InChI

InChI=1S/C21H20N4OS/c27-21(25-11-5-1-2-6-12-25)26-14-9-10-17-18(13-14)22-19-15-7-3-4-8-16(15)23-20(19)24-17/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,23,24)