ethyl 5-(phenylmethyl)-2-[(2,4,6-trimethylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(phenylmethyl)-2-[(2,4,6-trimethylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(2,4,6-trimethylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[sulfanylidene-(2,4,6-trimethylanilino)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(2,4,6-trimethylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(mesitylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C24H26N2O2S2 MolecularWeight: 438.60544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C24H26N2O2S2/c1-5-28-23(27)20-14-19(13-18-9-7-6-8-10-18)30-22(20)26-24(29)25-21-16(3)11-15(2)12-17(21)4/h6-12,14H,5,13H2,1-4H3,(H2,25,26,29)