2-[bis(azanyl)methylideneamino]-N-(5-methylsulfonyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[bis(azanyl)methylideneamino]-N-(5-methylsulfonyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Openeye Name: 2-guanidino-N-(5-methylsulfonyl-1,3-benzothiazol-2-yl)thiazole-4-carboxamide CAS Name: 2-(diaminomethylideneamino)-N-(5-methylsulfonyl-1,3-benzothiazol-2-yl)-4-thiazolecarboxamide IUPAC Name: 2-(diaminomethylideneamino)-N-(5-methylsulfonyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Traditional Name: 2-guanidino-N-(5-mesyl-1,3-benzothiazol-2-yl)thiazole-4-carboxamide Formula: C13H12N6O3S3 MolecularWeight: 396.46778

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)SC(=N2)NC(=O)C3=CSC(=N3)N=C(N)N

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)SC(=N2)NC(=O)C3=CSC(=N3)N=C(N)N

InChI

InChI=1S/C13H12N6O3S3/c1-25(21,22)6-2-3-9-7(4-6)16-13(24-9)18-10(20)8-5-23-12(17-8)19-11(14)15/h2-5H,1H3,(H,16,18,20)(H4,14,15,17,19)