1-(2-methyl-4-nitro-phenyl)-3-(2,2,4,4,7-pentamethyl-3H-thiochromen-6-yl)thiourea

Systemtic Name: 1-(2-methyl-4-nitro-phenyl)-3-(2,2,4,4,7-pentamethyl-3H-thiochromen-6-yl)thiourea Openeye Name: 1-(2-methyl-4-nitro-phenyl)-3-(2,2,4,4,7-pentamethylthiochroman-6-yl)thiourea CAS Name: 1-(2-methyl-4-nitrophenyl)-3-(2,2,4,4,7-pentamethyl-3H-1-benzothiopyran-6-yl)thiourea IUPAC Name: 1-(2-methyl-4-nitrophenyl)-3-(2,2,4,4,7-pentamethyl-3H-thiochromen-6-yl)thiourea Traditional Name: 1-(2-methyl-4-nitro-phenyl)-3-(2,2,4,4,7-pentamethylthiochroman-6-yl)thiourea Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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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(CC(S3)(C)C)(C)C)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=C(C=C3C(=C2)C(CC(S3)(C)C)(C)C)C

InChI

InChI=1S/C22H27N3O2S2/c1-13-9-15(25(26)27)7-8-17(13)23-20(28)24-18-11-16-19(10-14(18)2)29-22(5,6)12-21(16,3)4/h7-11H,12H2,1-6H3,(H2,23,24,28)