[2-[(4-tert-butylphenyl)methyl]-3-[(5-methoxycyclohexa-1,5-dien-1-yl)methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate

Systemtic Name: [2-[(4-tert-butylphenyl)methyl]-3-[(5-methoxycyclohexa-1,5-dien-1-yl)methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate Openeye Name: [2-[(4-tert-butylphenyl)methyl]-3-[(5-methoxycyclohexa-1,5-dien-1-yl)methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[(4-tert-butylphenyl)methyl]-3-[[[(5-methoxy-1-cyclohexa-1,5-dienyl)methylamino]-sulfanylidenemethyl]amino]propyl] ester IUPAC Name: [2-[(4-tert-butylphenyl)methyl]-3-[(5-methoxycyclohexa-1,5-dien-1-yl)methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-(4-tert-butylbenzyl)-3-[(5-methoxycyclohexa-1,5-dien-1-yl)methylthiocarbamoylamino]propyl] ester Formula: C28H42N2O3S MolecularWeight: 486.70968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CC(CNC(=S)NCC2=CCCC(=C2)OC)COC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CC(CNC(=S)NCC2=CCCC(=C2)OC)COC(=O)C(C)(C)C

InChI

InChI=1S/C28H42N2O3S/c1-27(2,3)23-13-11-20(12-14-23)15-22(19-33-25(31)28(4,5)6)18-30-26(34)29-17-21-9-8-10-24(16-21)32-7/h9,11-14,16,22H,8,10,15,17-19H2,1-7H3,(H2,29,30,34)