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

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-methyl-4-(methylsulfonylamino)phenyl]methyl]thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)-3-methyl-phenyl]methyl]thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)-3-methylphenyl]methyl]thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)-3-methylphenyl]methyl]thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-[4-(methanesulfonamido)-3-methyl-benzyl]thiourea Formula: C21H29N3O2S2 MolecularWeight: 419.60386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=S)NCC2=CC=C(C=C2)C(C)(C)C)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=S)NCC2=CC=C(C=C2)C(C)(C)C)NS(=O)(=O)C

InChI

InChI=1S/C21H29N3O2S2/c1-15-12-17(8-11-19(15)24-28(5,25)26)14-23-20(27)22-13-16-6-9-18(10-7-16)21(2,3)4/h6-12,24H,13-14H2,1-5H3,(H2,22,23,27)