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

Systemtic Name: 2-[bis(azanyl)methylideneamino]-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Openeye Name: N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-guanidino-thiazole-4-carboxamide CAS Name: N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(diaminomethylideneamino)-4-thiazolecarboxamide IUPAC Name: N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(diaminomethylideneamino)-1,3-thiazole-4-carboxamide Traditional Name: N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-guanidino-thiazole-4-carboxamide Formula: C16H18N6OS2 MolecularWeight: 374.48372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6OS2/c1-16(2,3)8-4-5-9-11(6-8)25-15(19-9)21-12(23)10-7-24-14(20-10)22-13(17)18/h4-7H,1-3H3,(H,19,21,23)(H4,17,18,20,22)