[2-[[(4-tert-butylphenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-1,3-thiazol-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone

Systemtic Name: [2-[[(4-tert-butylphenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-1,3-thiazol-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone Openeye Name: [2-[[(4-tert-butylphenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]thiazol-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone CAS Name: [2-[[(4-tert-butylphenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-4-thiazolyl]-[4-(3-chlorophenyl)-1-piperazinyl]methanone IUPAC Name: [2-[[(4-tert-butylphenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-1,3-thiazol-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone Traditional Name: [2-[[(4-tert-butylbenzyl)-homoveratryl-amino]methyl]thiazol-4-yl]-[4-(3-chlorophenyl)piperazino]methanone Formula: C36H43ClN4O3S MolecularWeight: 647.26962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(CCC2=CC(=C(C=C2)OC)OC)CC3=NC(=CS3)C(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CCC2=CC(=C(C=C2)OC)OC)CC3=NC(=CS3)C(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C36H43ClN4O3S/c1-36(2,3)28-12-9-27(10-13-28)23-39(16-15-26-11-14-32(43-4)33(21-26)44-5)24-34-38-31(25-45-34)35(42)41-19-17-40(18-20-41)30-8-6-7-29(37)22-30/h6-14,21-22,25H,15-20,23-24H2,1-5H3