N'-(4-methylphenyl)-N-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazole-2-carboximidamide

Systemtic Name: N'-(4-methylphenyl)-N-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazole-2-carboximidamide Openeye Name: N-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-N'-(p-tolyl)-1,3-benzothiazole-2-carboxamidine CAS Name: N'-(4-methylphenyl)-N-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-1,3-benzothiazole-2-carboximidamide IUPAC Name: N'-(4-methylphenyl)-N-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-1,3-benzothiazole-2-carboximidamide Traditional Name: N-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-N'-(p-tolyl)-1,3-benzothiazole-2-carboxamidine Formula: C22H17N5O3S MolecularWeight: 431.46708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C(C2=NC3=CC=CC=C3S2)NNC=C4C=C(C=CC4=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N=C(C2=NC3=CC=CC=C3S2)NNC=C4C=C(C=CC4=O)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O3S/c1-14-6-8-16(9-7-14)24-21(22-25-18-4-2-3-5-20(18)31-22)26-23-13-15-12-17(27(29)30)10-11-19(15)28/h2-13,23H,1H3,(H,24,26)