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

Systemtic Name: methyl 5-(phenylmethyl)-2-[(2,4,6-trimethylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 5-benzyl-2-[(2,4,6-trimethylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(mesitylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C23H24N2O2S2 MolecularWeight: 424.57886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C23H24N2O2S2/c1-14-10-15(2)20(16(3)11-14)24-23(28)25-21-19(22(26)27-4)13-18(29-21)12-17-8-6-5-7-9-17/h5-11,13H,12H2,1-4H3,(H2,24,25,28)