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

Systemtic Name: 3-[[bis(azanyl)methylideneamino]methyl]-N-(6-phenyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 3-(guanidinomethyl)-N-(6-phenyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 3-[(diaminomethylideneamino)methyl]-N-(6-phenyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 3-[(diaminomethylideneamino)methyl]-N-(6-phenyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3-(guanidinomethyl)-N-(6-phenyl-1,3-benzothiazol-2-yl)benzamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC(=CC=C4)CN=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC(=CC=C4)CN=C(N)N

InChI

InChI=1S/C22H19N5OS/c23-21(24)25-13-14-5-4-8-17(11-14)20(28)27-22-26-18-10-9-16(12-19(18)29-22)15-6-2-1-3-7-15/h1-12H,13H2,(H4,23,24,25)(H,26,27,28)