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

Systemtic Name: [2-[(3,4-dimethylphenyl)methyl]-3-[(5-methoxycyclohexa-1,5-dien-1-yl)methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate Openeye Name: [2-[(3,4-dimethylphenyl)methyl]-3-[(5-methoxycyclohexa-1,5-dien-1-yl)methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[(3,4-dimethylphenyl)methyl]-3-[[[(5-methoxy-1-cyclohexa-1,5-dienyl)methylamino]-sulfanylidenemethyl]amino]propyl] ester IUPAC Name: [2-[(3,4-dimethylphenyl)methyl]-3-[(5-methoxycyclohexa-1,5-dien-1-yl)methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-(3,4-dimethylbenzyl)-3-[(5-methoxycyclohexa-1,5-dien-1-yl)methylthiocarbamoylamino]propyl] ester Formula: C26H38N2O3S MolecularWeight: 458.65652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(CNC(=S)NCC2=CCCC(=C2)OC)COC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC(CNC(=S)NCC2=CCCC(=C2)OC)COC(=O)C(C)(C)C)C

InChI

InChI=1S/C26H38N2O3S/c1-18-10-11-20(12-19(18)2)13-22(17-31-24(29)26(3,4)5)16-28-25(32)27-15-21-8-7-9-23(14-21)30-6/h8,10-12,14,22H,7,9,13,15-17H2,1-6H3,(H2,27,28,32)