ethyl 5-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[(3,5-dibromo-2-methoxy-benzoyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[[(3,5-dibromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[(3,5-dibromo-2-methoxybenzoyl)carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[(3,5-dibromo-2-methoxy-benzoyl)thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H15Br2N3O4S2 MolecularWeight: 561.2674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)Br)Br)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)Br)Br)C#N)C

InChI

InChI=1S/C18H15Br2N3O4S2/c1-4-27-17(25)14-8(2)11(7-21)16(29-14)23-18(28)22-15(24)10-5-9(19)6-12(20)13(10)26-3/h5-6H,4H2,1-3H3,(H2,22,23,24,28)