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

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-cyano-4-(methylsulfonylamino)phenyl]methyl]thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-cyano-4-(methanesulfonamido)phenyl]methyl]thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-cyano-4-(methanesulfonamido)phenyl]methyl]thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[[3-cyano-4-(methanesulfonamido)phenyl]methyl]thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-[3-cyano-4-(methanesulfonamido)benzyl]thiourea Formula: C21H26N4O2S2 MolecularWeight: 430.58674

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S2/c1-21(2,3)18-8-5-15(6-9-18)13-23-20(28)24-14-16-7-10-19(17(11-16)12-22)25-29(4,26)27/h5-11,25H,13-14H2,1-4H3,(H2,23,24,28)