4-[5-[4-(5-butyl-2-phenyl-1,3-thiazol-4-yl)phenoxy]pentoxy]-N'-oxidanyl-benzenecarboximidamide

Systemtic Name: 4-[5-[4-(5-butyl-2-phenyl-1,3-thiazol-4-yl)phenoxy]pentoxy]-N'-oxidanyl-benzenecarboximidamide Openeye Name: 4-[5-[4-(5-butyl-2-phenyl-thiazol-4-yl)phenoxy]pentoxy]-N'-hydroxy-benzamidine CAS Name: 4-[5-[4-(5-butyl-2-phenyl-4-thiazolyl)phenoxy]pentoxy]-N'-hydroxybenzenecarboximidamide IUPAC Name: 4-[5-[4-(5-butyl-2-phenyl-1,3-thiazol-4-yl)phenoxy]pentoxy]-N'-hydroxybenzenecarboximidamide Traditional Name: 4-[5-[4-(5-butyl-2-phenyl-thiazol-4-yl)phenoxy]pentoxy]-N'-hydroxy-benzamidine Formula: C31H35N3O3S MolecularWeight: 529.6929

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(S1)C2=CC=CC=C2)C3=CC=C(C=C3)OCCCCCOC4=CC=C(C=C4)C(=NO)N

Isomeric SMILES

CCCCC1=C(N=C(S1)C2=CC=CC=C2)C3=CC=C(C=C3)OCCCCCOC4=CC=C(C=C4)/C(=N/O)/N

InChI

InChI=1S/C31H35N3O3S/c1-2-3-12-28-29(33-31(38-28)25-10-6-4-7-11-25)23-13-17-26(18-14-23)36-21-8-5-9-22-37-27-19-15-24(16-20-27)30(32)34-35/h4,6-7,10-11,13-20,35H,2-3,5,8-9,12,21-22H2,1H3,(H2,32,34)