1-[[4-(2-azidoethylsulfonylamino)phenyl]methyl]-3-[(4-tert-butylphenyl)methyl]thiourea

Systemtic Name: 1-[[4-(2-azidoethylsulfonylamino)phenyl]methyl]-3-[(4-tert-butylphenyl)methyl]thiourea Openeye Name: 1-[[4-(2-azidoethylsulfonylamino)phenyl]methyl]-3-[(4-tert-butylphenyl)methyl]thiourea CAS Name: 1-[[4-(2-azidoethylsulfonylamino)phenyl]methyl]-3-[(4-tert-butylphenyl)methyl]thiourea IUPAC Name: 1-[[4-(2-azidoethylsulfonylamino)phenyl]methyl]-3-[(4-tert-butylphenyl)methyl]thiourea Traditional Name: 1-[4-(2-azidoethylsulfonylamino)benzyl]-3-(4-tert-butylbenzyl)thiourea Formula: C21H28N6O2S2 MolecularWeight: 460.61602

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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)CCN=[N+]=[N-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)NS(=O)(=O)CCN=[N+]=[N-]

InChI

InChI=1S/C21H28N6O2S2/c1-21(2,3)18-8-4-16(5-9-18)14-23-20(30)24-15-17-6-10-19(11-7-17)26-31(28,29)13-12-25-27-22/h4-11,26H,12-15H2,1-3H3,(H2,23,24,30)