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

Systemtic Name: 2-[bis(azanyl)methylideneamino]-N-(6-butoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Openeye Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-2-guanidino-thiazole-4-carboxamide CAS Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-2-(diaminomethylideneamino)-4-thiazolecarboxamide IUPAC Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-2-(diaminomethylideneamino)-1,3-thiazole-4-carboxamide Traditional Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-2-guanidino-thiazole-4-carboxamide Formula: C16H18N6O2S2 MolecularWeight: 390.48312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CSC(=N3)N=C(N)N

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CSC(=N3)N=C(N)N

InChI

InChI=1S/C16H18N6O2S2/c1-2-3-6-24-9-4-5-10-12(7-9)26-16(19-10)21-13(23)11-8-25-15(20-11)22-14(17)18/h4-5,7-8H,2-3,6H2,1H3,(H,19,21,23)(H4,17,18,20,22)