4-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide

Systemtic Name: 4-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide Openeye Name: 4-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide CAS Name: 4-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carbothioamide Traditional Name: 4-(4-tert-butylbenzyl)-N-homoveratryl-piperazine-1-carbothioamide Formula: C26H37N3O2S MolecularWeight: 455.65588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H37N3O2S/c1-26(2,3)22-9-6-21(7-10-22)19-28-14-16-29(17-15-28)25(32)27-13-12-20-8-11-23(30-4)24(18-20)31-5/h6-11,18H,12-17,19H2,1-5H3,(H,27,32)