1-[(Z)-[3,6,6-trimethyl-2-[(2-phenylethanoylamino)carbamoyl]-5,7-dihydro-1-benzofuran-4-ylidene]amino]urea

Systemtic Name: 1-[(Z)-[3,6,6-trimethyl-2-[(2-phenylethanoylamino)carbamoyl]-5,7-dihydro-1-benzofuran-4-ylidene]amino]urea Openeye Name: [(Z)-[3,6,6-trimethyl-2-[[(2-phenylacetyl)amino]carbamoyl]-5,7-dihydrobenzofuran-4-ylidene]amino]urea CAS Name: [(Z)-[3,6,6-trimethyl-2-[oxo-[(1-oxo-2-phenylethyl)hydrazo]methyl]-5,7-dihydrobenzofuran-4-ylidene]amino]urea IUPAC Name: [(Z)-[3,6,6-trimethyl-2-[[(2-phenylacetyl)amino]carbamoyl]-5,7-dihydro-1-benzofuran-4-ylidene]amino]urea Traditional Name: [(Z)-[3,6,6-trimethyl-2-[[(2-phenylacetyl)amino]carbamoyl]-5,7-dihydrobenzofuran-4-ylidene]amino]urea Formula: C21H25N5O4 MolecularWeight: 411.4543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)N)CC(C2)(C)C)C(=O)NNC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(OC2=C1/C(=N\NC(=O)N)/CC(C2)(C)C)C(=O)NNC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N5O4/c1-12-17-14(23-26-20(22)29)10-21(2,3)11-15(17)30-18(12)19(28)25-24-16(27)9-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3,(H,24,27)(H,25,28)(H3,22,26,29)/b23-14-