[4-(3,4-dimethylphenyl)-2-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamothioylamino]butyl] 2,2-dimethylpropanoate

Systemtic Name: [4-(3,4-dimethylphenyl)-2-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamothioylamino]butyl] 2,2-dimethylpropanoate Openeye Name: [4-(3,4-dimethylphenyl)-2-[(4-hydroxy-3-methoxy-phenyl)methylcarbamothioylamino]butyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-(3,4-dimethylphenyl)-2-[[[(4-hydroxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]butyl] ester IUPAC Name: [4-(3,4-dimethylphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylcarbamothioylamino]butyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-(3,4-dimethylphenyl)-2-(vanillylthiocarbamoylamino)butyl] ester Formula: C26H36N2O4S MolecularWeight: 472.64004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(COC(=O)C(C)(C)C)NC(=S)NCC2=CC(=C(C=C2)O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)CCC(COC(=O)C(C)(C)C)NC(=S)NCC2=CC(=C(C=C2)O)OC)C

InChI

InChI=1S/C26H36N2O4S/c1-17-7-8-19(13-18(17)2)9-11-21(16-32-24(30)26(3,4)5)28-25(33)27-15-20-10-12-22(29)23(14-20)31-6/h7-8,10,12-14,21,29H,9,11,15-16H2,1-6H3,(H2,27,28,33)