1-[(4-tert-butylphenyl)methyl]-3-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]thiourea

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[(3-chloro-4-hydroxy-5-methoxy-phenyl)methyl]thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-(3-chloro-4-hydroxy-5-methoxy-benzyl)thiourea Formula: C20H25ClN2O2S MolecularWeight: 392.9427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC(=C(C(=C2)Cl)O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC(=C(C(=C2)Cl)O)OC

InChI

InChI=1S/C20H25ClN2O2S/c1-20(2,3)15-7-5-13(6-8-15)11-22-19(26)23-12-14-9-16(21)18(24)17(10-14)25-4/h5-10,24H,11-12H2,1-4H3,(H2,22,23,26)