ethyl 5-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(4-bromo-3-methoxy-naphthalene-2-carbonyl)carbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[[(4-bromo-3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-bromo-3-methoxynaphthalene-2-carbonyl)carbamothioylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(4-bromo-3-methoxy-2-naphthoyl)thiocarbamoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H18BrN3O4S2 MolecularWeight: 532.43002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)C#N)C

InChI

InChI=1S/C22H18BrN3O4S2/c1-4-30-21(28)18-11(2)15(10-24)20(32-18)26-22(31)25-19(27)14-9-12-7-5-6-8-13(12)16(23)17(14)29-3/h5-9H,4H2,1-3H3,(H2,25,26,27,31)