N-(1,3-benzothiazol-2-ylimino)-N'-[(4-nitrophenyl)amino]-4-propan-2-yl-benzenecarboximidamide

Systemtic Name: N-(1,3-benzothiazol-2-ylimino)-N'-[(4-nitrophenyl)amino]-4-propan-2-yl-benzenecarboximidamide Openeye Name: N-(1,3-benzothiazol-2-ylimino)-4-isopropyl-N'-(4-nitroanilino)benzamidine CAS Name: N-(1,3-benzothiazol-2-ylimino)-N'-(4-nitroanilino)-4-propan-2-ylbenzenecarboximidamide IUPAC Name: N-(1,3-benzothiazol-2-ylimino)-N'-(4-nitroanilino)-4-propan-2-ylbenzenecarboximidamide Traditional Name: N-(1,3-benzothiazol-2-ylimino)-4-isopropyl-N'-(4-nitroanilino)benzamidine Formula: C23H20N6O2S MolecularWeight: 444.5089

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=NNC2=CC=C(C=C2)[N+](=O)[O-])N=NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C(=N\NC2=CC=C(C=C2)[N+](=O)[O-])/N=NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H20N6O2S/c1-15(2)16-7-9-17(10-8-16)22(26-25-18-11-13-19(14-12-18)29(30)31)27-28-23-24-20-5-3-4-6-21(20)32-23/h3-15,25H,1-2H3/b26-22+,28-27?