1-[(4-tert-butylphenyl)methyl]-3-[[3-methylsulfonyl-4-(methylsulfonylamino)phenyl]methyl]thiourea

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-methylsulfonyl-4-(methylsulfonylamino)phenyl]methyl]thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)-3-methylsulfonyl-phenyl]methyl]thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)-3-methylsulfonylphenyl]methyl]thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)-3-methylsulfonylphenyl]methyl]thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-[3-mesyl-4-(methanesulfonamido)benzyl]thiourea Formula: C21H29N3O4S3 MolecularWeight: 483.66766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC(=C(C=C2)NS(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC(=C(C=C2)NS(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C21H29N3O4S3/c1-21(2,3)17-9-6-15(7-10-17)13-22-20(29)23-14-16-8-11-18(24-31(5,27)28)19(12-16)30(4,25)26/h6-12,24H,13-14H2,1-5H3,(H2,22,23,29)