3-[[bis(azanyl)methylideneamino]methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 3-[[bis(azanyl)methylideneamino]methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 3-(guanidinomethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: 3-[(diaminomethylideneamino)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 3-[(diaminomethylideneamino)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3-(guanidinomethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C16H14N6O3S MolecularWeight: 370.38576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN=C(N)N)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)CN=C(N)N)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N6O3S/c17-15(18)19-8-9-2-1-3-10(6-9)14(23)21-16-20-12-5-4-11(22(24)25)7-13(12)26-16/h1-7H,8H2,(H4,17,18,19)(H,20,21,23)