N-[(2,3-dimethoxyphenyl)methyl]-4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidine-1-carbothioamide

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidine-1-carbothioamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-4-[1-[(4-isopropylphenyl)methyl]imidazol-2-yl]piperidine-1-carbothioamide CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-4-[1-[(4-propan-2-ylphenyl)methyl]-2-imidazolyl]-1-piperidinecarbothioamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidine-1-carbothioamide Traditional Name: 4-[1-(4-isopropylbenzyl)imidazol-2-yl]-N-o-veratryl-piperidine-1-carbothioamide Formula: C28H36N4O2S MolecularWeight: 492.67604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2C=CN=C2C3CCN(CC3)C(=S)NCC4=C(C(=CC=C4)OC)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2C=CN=C2C3CCN(CC3)C(=S)NCC4=C(C(=CC=C4)OC)OC

InChI

InChI=1S/C28H36N4O2S/c1-20(2)22-10-8-21(9-11-22)19-32-17-14-29-27(32)23-12-15-31(16-13-23)28(35)30-18-24-6-5-7-25(33-3)26(24)34-4/h5-11,14,17,20,23H,12-13,15-16,18-19H2,1-4H3,(H,30,35)