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

Systemtic Name: methyl 2-[(4-bromanyl-2-ethyl-phenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H21BrN2O2S2 MolecularWeight: 489.44834

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2O2S2/c1-3-15-12-16(23)9-10-19(15)24-22(28)25-20-18(21(26)27-2)13-17(29-20)11-14-7-5-4-6-8-14/h4-10,12-13H,3,11H2,1-2H3,(H2,24,25,28)