2-(2-azanylbenzo[e][1,3]benzothiazol-1-ium-1-yl)-N-(3-cyanophenyl)ethanamide

Systemtic Name: 2-(2-azanylbenzo[e][1,3]benzothiazol-1-ium-1-yl)-N-(3-cyanophenyl)ethanamide Openeye Name: 2-(2-aminobenzo[e][1,3]benzothiazol-1-ium-1-yl)-N-(3-cyanophenyl)acetamide CAS Name: 2-(2-amino-1-benzo[e][1,3]benzothiazol-1-iumyl)-N-(3-cyanophenyl)acetamide IUPAC Name: 2-(2-aminobenzo[e][1,3]benzothiazol-1-ium-1-yl)-N-(3-cyanophenyl)acetamide Traditional Name: 2-(2-aminobenzo[e][1,3]benzothiazol-1-ium-1-yl)-N-(3-cyanophenyl)acetamide Formula: C20H15N4OS+ MolecularWeight: 359.4243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2[N+](=C(S3)N)CC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2[N+](=C(S3)N)CC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H14N4OS/c21-11-13-4-3-6-15(10-13)23-18(25)12-24-19-16-7-2-1-5-14(16)8-9-17(19)26-20(24)22/h1-10,22H,12H2,(H,23,25)/p+1