methyl 2-[[2-(3,4-diethoxyphenyl)ethanoylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(3,4-diethoxyphenyl)ethanoylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[[2-(3,4-diethoxyphenyl)acetyl]amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[2-(3,4-diethoxyphenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[[2-(3,4-diethoxyphenyl)acetyl]amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[[2-(3,4-diethoxyphenyl)acetyl]amino]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C26H29N3O5S2 MolecularWeight: 527.65556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC(=O)NNC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC(=O)NNC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC)OCC

InChI

InChI=1S/C26H29N3O5S2/c1-4-33-21-12-11-18(14-22(21)34-5-2)15-23(30)28-29-26(35)27-24-20(25(31)32-3)16-19(36-24)13-17-9-7-6-8-10-17/h6-12,14,16H,4-5,13,15H2,1-3H3,(H,28,30)(H2,27,29,35)