1-(6-methoxy-1,1,4,4-tetramethyl-3H-isochromen-7-yl)-3-(2-methyl-4-nitro-phenyl)thiourea

Systemtic Name: 1-(6-methoxy-1,1,4,4-tetramethyl-3H-isochromen-7-yl)-3-(2-methyl-4-nitro-phenyl)thiourea Openeye Name: 1-(6-methoxy-1,1,4,4-tetramethyl-isochroman-7-yl)-3-(2-methyl-4-nitro-phenyl)thiourea CAS Name: 1-(6-methoxy-1,1,4,4-tetramethyl-3,4-dihydro-1H-2-benzopyran-7-yl)-3-(2-methyl-4-nitrophenyl)thiourea IUPAC Name: 1-(6-methoxy-1,1,4,4-tetramethyl-3H-isochromen-7-yl)-3-(2-methyl-4-nitrophenyl)thiourea Traditional Name: 1-(6-methoxy-1,1,4,4-tetramethyl-isochroman-7-yl)-3-(2-methyl-4-nitro-phenyl)thiourea Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=C(C=C3C(=C2)C(OCC3(C)C)(C)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=C(C=C3C(=C2)C(OCC3(C)C)(C)C)OC

InChI

InChI=1S/C22H27N3O4S/c1-13-9-14(25(26)27)7-8-17(13)23-20(30)24-18-10-16-15(11-19(18)28-6)21(2,3)12-29-22(16,4)5/h7-11H,12H2,1-6H3,(H2,23,24,30)