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

Systemtic Name: methyl 5-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H16BrN3O4S2 MolecularWeight: 518.40344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)C(=O)OC

InChI

InChI=1S/C21H16BrN3O4S2/c1-10-14(9-23)19(31-17(10)20(27)29-3)25-21(30)24-18(26)13-8-11-6-4-5-7-12(11)15(22)16(13)28-2/h4-8H,1-3H3,(H2,24,25,26,30)