ethyl 5-(phenylmethyl)-2-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-(phenylmethyl)-2-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(1,1,3,3-tetramethylbutylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[sulfanylidene-(2,4,4-trimethylpentan-2-ylamino)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(1,1,3,3-tetramethylbutylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C23H32N2O2S2 MolecularWeight: 432.64238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC(C)(C)CC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC(C)(C)CC(C)(C)C

InChI

InChI=1S/C23H32N2O2S2/c1-7-27-20(26)18-14-17(13-16-11-9-8-10-12-16)29-19(18)24-21(28)25-23(5,6)15-22(2,3)4/h8-12,14H,7,13,15H2,1-6H3,(H2,24,25,28)