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

Systemtic Name: methyl 2-[(4-bromanyl-2-ethyl-phenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-bromo-2-ethyl-phenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(4-bromo-2-ethylanilino)-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-2-ethylphenyl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(4-bromo-2-ethyl-phenyl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H19BrN2O2S2 MolecularWeight: 427.37896

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=C(C=C(C=C2)Br)CC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=C(C=C(C=C2)Br)CC)C(=O)OC

InChI

InChI=1S/C17H19BrN2O2S2/c1-4-10-8-11(18)6-7-14(10)19-17(23)20-15-13(16(21)22-3)9-12(5-2)24-15/h6-9H,4-5H2,1-3H3,(H2,19,20,23)