N-(2,3-diphenylquinoxalin-6-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(2,3-diphenylquinoxalin-6-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-(2,3-diphenylquinoxalin-6-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-(2,3-diphenyl-6-quinoxalinyl)-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(2,3-diphenylquinoxalin-6-yl)-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-(2,3-diphenylquinoxalin-6-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C30H27N6S+ MolecularWeight: 503.64058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H26N6S/c37-30(36-19-17-35(18-20-36)27-13-7-8-16-31-27)32-24-14-15-25-26(21-24)34-29(23-11-5-2-6-12-23)28(33-25)22-9-3-1-4-10-22/h1-16,21H,17-20H2,(H,32,37)/p+1