(1Z)-1-[azanyl-[(2,6-dimethylphenyl)amino]methylidene]-3-phenethyl-urea; 2-isocyanatoethylbenzene

Systemtic Name: (1Z)-1-[azanyl-[(2,6-dimethylphenyl)amino]methylidene]-3-phenethyl-urea; 2-isocyanatoethylbenzene Openeye Name: (1Z)-1-[amino-(2,6-dimethylanilino)methylene]-3-phenethyl-urea; 2-isocyanatoethylbenzene CAS Name: (1Z)-1-[amino-(2,6-dimethylanilino)methylidene]-3-phenethylurea; 2-isocyanatoethylbenzene IUPAC Name: (1Z)-1-[amino-(2,6-dimethylanilino)methylidene]-3-phenethylurea; 2-isocyanatoethylbenzene Traditional Name: (1Z)-1-[amino-(2,6-dimethylanilino)methylene]-3-phenethyl-urea; 2-isocyanatoethylbenzene Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=NC(=O)NCCC2=CC=CC=C2)N.C1=CC=C(C=C1)CCN=C=O

Isomeric SMILES

CC1=C(C(=CC=C1)C)N/C(=N\C(=O)NCCC2=CC=CC=C2)/N.C1=CC=C(C=C1)CCN=C=O

InChI

InChI=1S/C18H22N4O.C9H9NO/c1-13-7-6-8-14(2)16(13)21-17(19)22-18(23)20-12-11-15-9-4-3-5-10-15;11-8-10-7-6-9-4-2-1-3-5-9/h3-10H,11-12H2,1-2H3,(H4,19,20,21,22,23);1-5H,6-7H2