N-([1]benzothiolo[3,2-b]quinoxalin-2-yl)azepane-1-carbothioamide

Systemtic Name: N-([1]benzothiolo[3,2-b]quinoxalin-2-yl)azepane-1-carbothioamide Openeye Name: N-(benzothiopheno[3,2-b]quinoxalin-2-yl)azepane-1-carbothioamide CAS Name: N-([1]benzothiolo[3,2-b]quinoxalin-2-yl)-1-azepanecarbothioamide IUPAC Name: N-([1]benzothiolo[3,2-b]quinoxalin-2-yl)azepane-1-carbothioamide Traditional Name: N-(benzothiopheno[3,2-b]quinoxalin-2-yl)azepane-1-carbothioamide Formula: C21H20N4S2 MolecularWeight: 392.5403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC2=CC3=C(C=C2)SC4=NC5=CC=CC=C5N=C34

Isomeric SMILES

C1CCCN(CC1)C(=S)NC2=CC3=C(C=C2)SC4=NC5=CC=CC=C5N=C34

InChI

InChI=1S/C21H20N4S2/c26-21(25-11-5-1-2-6-12-25)22-14-9-10-18-15(13-14)19-20(27-18)24-17-8-4-3-7-16(17)23-19/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,22,26)