3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-N-butyl-N-(furan-3-ylmethyl)-5-methyl-benzamide

Systemtic Name: 3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-N-butyl-N-(furan-3-ylmethyl)-5-methyl-benzamide Openeye Name: N-butyl-N-(3-furylmethyl)-3-(3-guanidinooxypropoxy)-5-methyl-benzamide CAS Name: N-butyl-3-[3-(diaminomethylideneamino)oxypropoxy]-N-(3-furanylmethyl)-5-methylbenzamide IUPAC Name: N-butyl-3-[3-(diaminomethylideneamino)oxypropoxy]-N-(furan-3-ylmethyl)-5-methylbenzamide Traditional Name: N-butyl-N-(3-furfuryl)-3-(3-guanidinooxypropoxy)-5-methyl-benzamide Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=COC=C1)C(=O)C2=CC(=CC(=C2)OCCCON=C(N)N)C

Isomeric SMILES

CCCCN(CC1=COC=C1)C(=O)C2=CC(=CC(=C2)OCCCON=C(N)N)C

InChI

InChI=1S/C21H30N4O4/c1-3-4-7-25(14-17-6-10-27-15-17)20(26)18-11-16(2)12-19(13-18)28-8-5-9-29-24-21(22)23/h6,10-13,15H,3-5,7-9,14H2,1-2H3,(H4,22,23,24)