1,3-bis[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]urea

Systemtic Name: 1,3-bis[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]urea Openeye Name: 1,3-bis[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]urea CAS Name: 1,3-bis[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]urea IUPAC Name: 1,3-bis[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]urea Traditional Name: 1,3-bis[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]urea Formula: C23H26N4O5 MolecularWeight: 438.47634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)NN=C(C)CCC1=CC2=C(C=C1)OCO2)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C/C(=N\NC(=O)N/N=C(/CCC1=CC2=C(OCO2)C=C1)\C)/CCC3=CC4=C(OCO4)C=C3

InChI

InChI=1S/C23H26N4O5/c1-15(3-5-17-7-9-19-21(11-17)31-13-29-19)24-26-23(28)27-25-16(2)4-6-18-8-10-20-22(12-18)32-14-30-20/h7-12H,3-6,13-14H2,1-2H3,(H2,26,27,28)/b24-15+,25-16+