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

Systemtic Name: 1-(2-methyl-4-nitro-phenyl)-3-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)thiourea Openeye Name: 1-(2-methyl-4-nitro-phenyl)-3-(2,2,4,4-tetramethylthiochroman-6-yl)thiourea CAS Name: 1-(2-methyl-4-nitrophenyl)-3-(2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)thiourea IUPAC Name: 1-(2-methyl-4-nitrophenyl)-3-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)thiourea Traditional Name: 1-(2-methyl-4-nitro-phenyl)-3-(2,2,4,4-tetramethylthiochroman-6-yl)thiourea Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC3=C(C=C2)SC(CC3(C)C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC3=C(C=C2)SC(CC3(C)C)(C)C

InChI

InChI=1S/C21H25N3O2S2/c1-13-10-15(24(25)26)7-8-17(13)23-19(27)22-14-6-9-18-16(11-14)20(2,3)12-21(4,5)28-18/h6-11H,12H2,1-5H3,(H2,22,23,27)