1-(2-methyl-4-nitro-phenyl)-3-(2,2,4,4-tetramethyl-3H-thiochromen-8-yl)thiourea

Systemtic Name: 1-(2-methyl-4-nitro-phenyl)-3-(2,2,4,4-tetramethyl-3H-thiochromen-8-yl)thiourea Openeye Name: 1-(2-methyl-4-nitro-phenyl)-3-(2,2,4,4-tetramethylthiochroman-8-yl)thiourea CAS Name: 1-(2-methyl-4-nitrophenyl)-3-(2,2,4,4-tetramethyl-3H-1-benzothiopyran-8-yl)thiourea IUPAC Name: 1-(2-methyl-4-nitrophenyl)-3-(2,2,4,4-tetramethyl-3H-thiochromen-8-yl)thiourea Traditional Name: 1-(2-methyl-4-nitro-phenyl)-3-(2,2,4,4-tetramethylthiochroman-8-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=CC=CC3=C2SC(CC3(C)C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC=CC3=C2SC(CC3(C)C)(C)C

InChI

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