diethyl 5-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(5-bromo-1-naphthoyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H21BrN2O5S2 MolecularWeight: 549.45724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br

InChI

InChI=1S/C23H21BrN2O5S2/c1-4-30-21(28)17-12(3)18(22(29)31-5-2)33-20(17)26-23(32)25-19(27)15-10-6-9-14-13(15)8-7-11-16(14)24/h6-11H,4-5H2,1-3H3,(H2,25,26,27,32)