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

Systemtic Name: (1E)-1-[azanyl-[(2,6-dimethylphenyl)amino]methylidene]-3-butyl-urea; 1-isocyanatobutane Openeye Name: (1E)-1-[amino-(2,6-dimethylanilino)methylene]-3-butyl-urea; 1-isocyanatobutane CAS Name: (1E)-1-[amino-(2,6-dimethylanilino)methylidene]-3-butylurea; 1-isocyanatobutane IUPAC Name: (1E)-1-[amino-(2,6-dimethylanilino)methylidene]-3-butylurea; 1-isocyanatobutane Traditional Name: (1E)-1-[amino-(2,6-dimethylanilino)methylene]-3-butyl-urea; 1-isocyanatobutane Formula: C19H31N5O2 MolecularWeight: 361.48174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N=C(N)NC1=C(C=CC=C1C)C.CCCCN=C=O

Isomeric SMILES

CCCCNC(=O)/N=C(\N)/NC1=C(C=CC=C1C)C.CCCCN=C=O

InChI

InChI=1S/C14H22N4O.C5H9NO/c1-4-5-9-16-14(19)18-13(15)17-12-10(2)7-6-8-11(12)3;1-2-3-4-6-5-7/h6-8H,4-5,9H2,1-3H3,(H4,15,16,17,18,19);2-4H2,1H3