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

Systemtic Name: 1-methyl-1-nitroso-3-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)urea Openeye Name: 1-methyl-1-nitroso-3-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)urea CAS Name: 1-methyl-1-nitroso-3-[1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]urea IUPAC Name: 1-methyl-1-nitroso-3-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)urea Traditional Name: 3-[9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-1-methyl-1-nitroso-urea Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC)N=O

Isomeric SMILES

CN(C(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC)N=O

InChI

InChI=1S/C22H25N3O6S/c1-25(24-28)22(27)23-15-8-6-12-10-17(29-2)20(30-3)21(31-4)19(12)13-7-9-18(32-5)16(26)11-14(13)15/h7,9-11,15H,6,8H2,1-5H3,(H,23,27)