2-[bis(azanyl)methylideneamino]-N-(6-pentylsulfonyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[bis(azanyl)methylideneamino]-N-(6-pentylsulfonyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Openeye Name: 2-guanidino-N-(6-pentylsulfonyl-1,3-benzothiazol-2-yl)thiazole-4-carboxamide CAS Name: 2-(diaminomethylideneamino)-N-(6-pentylsulfonyl-1,3-benzothiazol-2-yl)-4-thiazolecarboxamide IUPAC Name: 2-(diaminomethylideneamino)-N-(6-pentylsulfonyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Traditional Name: N-(6-amylsulfonyl-1,3-benzothiazol-2-yl)-2-guanidino-thiazole-4-carboxamide Formula: C17H20N6O3S3 MolecularWeight: 452.5741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CSC(=N3)N=C(N)N

Isomeric SMILES

CCCCCS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CSC(=N3)N=C(N)N

InChI

InChI=1S/C17H20N6O3S3/c1-2-3-4-7-29(25,26)10-5-6-11-13(8-10)28-17(20-11)22-14(24)12-9-27-16(21-12)23-15(18)19/h5-6,8-9H,2-4,7H2,1H3,(H,20,22,24)(H4,18,19,21,23)