ethyl 2-[(2-ethylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-ethylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(2-ethylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(2-ethylanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(2-ethylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2-ethylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C23H24N2O2S2 MolecularWeight: 424.57886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

InChI

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