(1E)-1-[azanyl-[(2,6-dimethylphenyl)amino]methylidene]-3-pentyl-urea; 1-isocyanatopentane

Systemtic Name: (1E)-1-[azanyl-[(2,6-dimethylphenyl)amino]methylidene]-3-pentyl-urea; 1-isocyanatopentane Openeye Name: (1E)-1-[amino-(2,6-dimethylanilino)methylene]-3-pentyl-urea; 1-isocyanatopentane CAS Name: (1E)-1-[amino-(2,6-dimethylanilino)methylidene]-3-pentylurea; 1-isocyanatopentane IUPAC Name: (1E)-1-[amino-(2,6-dimethylanilino)methylidene]-3-pentylurea; 1-isocyanatopentane Traditional Name: (1E)-1-[amino-(2,6-dimethylanilino)methylene]-3-amyl-urea; 1-isocyanatopentane Formula: C21H35N5O2 MolecularWeight: 389.5349

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)N=C(N)NC1=C(C=CC=C1C)C.CCCCCN=C=O

Isomeric SMILES

CCCCCNC(=O)/N=C(\N)/NC1=C(C=CC=C1C)C.CCCCCN=C=O

InChI

InChI=1S/C15H24N4O.C6H11NO/c1-4-5-6-10-17-15(20)19-14(16)18-13-11(2)8-7-9-12(13)3;1-2-3-4-5-7-6-8/h7-9H,4-6,10H2,1-3H3,(H4,16,17,18,19,20);2-5H2,1H3