1-[[2,2-dimethyl-6-nitro-4-(3-oxidanylidene-1H-isoindol-2-yl)chromen-3-yl]methyl]-3-methyl-thiourea

Systemtic Name: 1-[[2,2-dimethyl-6-nitro-4-(3-oxidanylidene-1H-isoindol-2-yl)chromen-3-yl]methyl]-3-methyl-thiourea Openeye Name: 1-[[2,2-dimethyl-6-nitro-4-(1-oxoisoindolin-2-yl)chromen-3-yl]methyl]-3-methyl-thiourea CAS Name: 1-[[2,2-dimethyl-6-nitro-4-(3-oxo-1H-isoindol-2-yl)-1-benzopyran-3-yl]methyl]-3-methylthiourea IUPAC Name: 1-[[2,2-dimethyl-6-nitro-4-(3-oxo-1H-isoindol-2-yl)chromen-3-yl]methyl]-3-methylthiourea Traditional Name: 1-[[4-(1-ketoisoindolin-2-yl)-2,2-dimethyl-6-nitro-chromen-3-yl]methyl]-3-methyl-thiourea Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3CC4=CC=CC=C4C3=O)CNC(=S)NC)C

Isomeric SMILES

CC1(C(=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3CC4=CC=CC=C4C3=O)CNC(=S)NC)C

InChI

InChI=1S/C22H22N4O4S/c1-22(2)17(11-24-21(31)23-3)19(16-10-14(26(28)29)8-9-18(16)30-22)25-12-13-6-4-5-7-15(13)20(25)27/h4-10H,11-12H2,1-3H3,(H2,23,24,31)