ethyl 2-[(4-bromanyl-2-ethyl-phenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-bromanyl-2-ethyl-phenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(4-bromo-2-ethyl-phenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(4-bromo-2-ethylanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4-bromo-2-ethylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-bromo-2-ethyl-phenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C23H23BrN2O2S2 MolecularWeight: 503.47492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H23BrN2O2S2/c1-3-16-13-17(24)10-11-20(16)25-23(29)26-21-19(22(27)28-4-2)14-18(30-21)12-15-8-6-5-7-9-15/h5-11,13-14H,3-4,12H2,1-2H3,(H2,25,26,29)