ethyl 5-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(5-bromo-1-naphthoyl)thiocarbamoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H16BrN3O3S2 MolecularWeight: 502.40404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br)C#N)C

InChI

InChI=1S/C21H16BrN3O3S2/c1-3-28-20(27)17-11(2)15(10-23)19(30-17)25-21(29)24-18(26)14-8-4-7-13-12(14)6-5-9-16(13)22/h4-9H,3H2,1-2H3,(H2,24,25,26,29)