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

Systemtic Name: methyl 5-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H14BrN3O3S2 MolecularWeight: 488.37746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br)C(=O)OC

InChI

InChI=1S/C20H14BrN3O3S2/c1-10-14(9-22)18(29-16(10)19(26)27-2)24-20(28)23-17(25)13-7-3-6-12-11(13)5-4-8-15(12)21/h3-8H,1-2H3,(H2,23,24,25,28)