1-methyl-3-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)urea

Systemtic Name: 1-methyl-3-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)urea Openeye Name: 1-methyl-3-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)urea CAS Name: 1-methyl-3-[1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]urea IUPAC Name: 1-methyl-3-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)urea Traditional Name: 1-[9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-3-methyl-urea Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC

Isomeric SMILES

CNC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC

InChI

InChI=1S/C22H26N2O5S/c1-23-22(26)24-15-8-6-12-10-17(27-2)20(28-3)21(29-4)19(12)13-7-9-18(30-5)16(25)11-14(13)15/h7,9-11,15H,6,8H2,1-5H3,(H2,23,24,26)