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

Systemtic Name: 1-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methyl]-3-[(4-tert-butylphenyl)methyl]thiourea Openeye Name: 1-[[4-(2-aminoethoxy)-3-methoxy-phenyl]methyl]-3-[(4-tert-butylphenyl)methyl]thiourea CAS Name: 1-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]-3-[(4-tert-butylphenyl)methyl]thiourea IUPAC Name: 1-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]-3-[(4-tert-butylphenyl)methyl]thiourea Traditional Name: 1-[4-(2-aminoethoxy)-3-methoxy-benzyl]-3-(4-tert-butylbenzyl)thiourea Formula: C22H31N3O2S MolecularWeight: 401.56544

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)OCCN)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC(=C(C=C2)OCCN)OC

InChI

InChI=1S/C22H31N3O2S/c1-22(2,3)18-8-5-16(6-9-18)14-24-21(28)25-15-17-7-10-19(27-12-11-23)20(13-17)26-4/h5-10,13H,11-12,14-15,23H2,1-4H3,(H2,24,25,28)