1-(2-methyl-4-sulfamoyl-phenyl)-3-(2,2,4,4,7-pentamethyl-3H-thiochromen-8-yl)thiourea

Systemtic Name: 1-(2-methyl-4-sulfamoyl-phenyl)-3-(2,2,4,4,7-pentamethyl-3H-thiochromen-8-yl)thiourea Openeye Name: 1-(2-methyl-4-sulfamoyl-phenyl)-3-(2,2,4,4,7-pentamethylthiochroman-8-yl)thiourea CAS Name: 1-(2-methyl-4-sulfamoylphenyl)-3-(2,2,4,4,7-pentamethyl-3H-1-benzothiopyran-8-yl)thiourea IUPAC Name: 1-(2-methyl-4-sulfamoylphenyl)-3-(2,2,4,4,7-pentamethyl-3H-thiochromen-8-yl)thiourea Traditional Name: 1-(2-methyl-4-sulfamoyl-phenyl)-3-(2,2,4,4,7-pentamethylthiochroman-8-yl)thiourea Formula: C22H29N3O2S3 MolecularWeight: 463.67956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(CC(S2)(C)C)(C)C)NC(=S)NC3=C(C=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(CC(S2)(C)C)(C)C)NC(=S)NC3=C(C=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C22H29N3O2S3/c1-13-7-9-16-19(29-22(5,6)12-21(16,3)4)18(13)25-20(28)24-17-10-8-15(11-14(17)2)30(23,26)27/h7-11H,12H2,1-6H3,(H2,23,26,27)(H2,24,25,28)