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

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[1-[4-(methylsulfonylamino)phenyl]propyl]thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[1-[4-(methanesulfonamido)phenyl]propyl]thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[1-[4-(methanesulfonamido)phenyl]propyl]thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[1-[4-(methanesulfonamido)phenyl]propyl]thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-[1-[4-(methanesulfonamido)phenyl]propyl]thiourea Formula: C22H31N3O2S2 MolecularWeight: 433.63044

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)NS(=O)(=O)C)NC(=S)NCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCC(C1=CC=C(C=C1)NS(=O)(=O)C)NC(=S)NCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H31N3O2S2/c1-6-20(17-9-13-19(14-10-17)25-29(5,26)27)24-21(28)23-15-16-7-11-18(12-8-16)22(2,3)4/h7-14,20,25H,6,15H2,1-5H3,(H2,23,24,28)