1-[[6-methyl-2,4-bis(oxidanylidene)pyran-3-ylidene]methyl]-3-octadecyl-thiourea

Systemtic Name: 1-[[6-methyl-2,4-bis(oxidanylidene)pyran-3-ylidene]methyl]-3-octadecyl-thiourea Openeye Name: 1-[(6-methyl-2,4-dioxo-pyran-3-ylidene)methyl]-3-octadecyl-thiourea CAS Name: 1-[(6-methyl-2,4-dioxo-3-pyranylidene)methyl]-3-octadecylthiourea IUPAC Name: 1-[(6-methyl-2,4-dioxopyran-3-ylidene)methyl]-3-octadecylthiourea Traditional Name: 1-[(2,4-diketo-6-methyl-pyran-3-ylidene)methyl]-3-stearyl-thiourea Formula: C26H44N2O3S MolecularWeight: 464.70416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=S)NC=C1C(=O)C=C(OC1=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=S)NC=C1C(=O)C=C(OC1=O)C

InChI

InChI=1S/C26H44N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27-26(32)28-21-23-24(29)20-22(2)31-25(23)30/h20-21H,3-19H2,1-2H3,(H2,27,28,32)