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

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[1-[3-methoxy-4-(methylsulfonylamino)phenyl]ethyl]thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[1-[4-(methanesulfonamido)-3-methoxy-phenyl]ethyl]thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[1-[4-(methanesulfonamido)-3-methoxyphenyl]ethyl]thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[1-[4-(methanesulfonamido)-3-methoxyphenyl]ethyl]thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-[1-[4-(methanesulfonamido)-3-methoxy-phenyl]ethyl]thiourea Formula: C22H31N3O3S2 MolecularWeight: 449.62984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3S2/c1-15(17-9-12-19(20(13-17)28-5)25-30(6,26)27)24-21(29)23-14-16-7-10-18(11-8-16)22(2,3)4/h7-13,15,25H,14H2,1-6H3,(H2,23,24,29)