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

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(propan-2-ylsulfonylamino)phenyl]methyl]thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(isopropylsulfonylamino)phenyl]methyl]thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(propan-2-ylsulfonylamino)phenyl]methyl]thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(propan-2-ylsulfonylamino)phenyl]methyl]thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-[4-(isopropylsulfonylamino)benzyl]thiourea Formula: C22H31N3O2S2 MolecularWeight: 433.63044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)NC1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)S(=O)(=O)NC1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H31N3O2S2/c1-16(2)29(26,27)25-20-12-8-18(9-13-20)15-24-21(28)23-14-17-6-10-19(11-7-17)22(3,4)5/h6-13,16,25H,14-15H2,1-5H3,(H2,23,24,28)