1-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methyl]-3-[(3,5-ditert-butylphenyl)methyl]thiourea

Systemtic Name: 1-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methyl]-3-[(3,5-ditert-butylphenyl)methyl]thiourea Openeye Name: 1-[[4-(2-aminoethoxy)-3-methoxy-phenyl]methyl]-3-[(3,5-ditert-butylphenyl)methyl]thiourea CAS Name: 1-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]-3-[(3,5-ditert-butylphenyl)methyl]thiourea IUPAC Name: 1-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]-3-[(3,5-ditert-butylphenyl)methyl]thiourea Traditional Name: 1-[4-(2-aminoethoxy)-3-methoxy-benzyl]-3-(3,5-ditert-butylbenzyl)thiourea Formula: C26H39N3O2S MolecularWeight: 457.67176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39N3O2S/c1-25(2,3)20-12-19(13-21(15-20)26(4,5)6)17-29-24(32)28-16-18-8-9-22(31-11-10-27)23(14-18)30-7/h8-9,12-15H,10-11,16-17,27H2,1-7H3,(H2,28,29,32)