4-bromanyl-3-methoxy-N-[(2,4,6-trimethylphenyl)carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: 4-bromanyl-3-methoxy-N-[(2,4,6-trimethylphenyl)carbamothioyl]naphthalene-2-carboxamide Openeye Name: 4-bromo-3-methoxy-N-[(2,4,6-trimethylphenyl)carbamothioyl]naphthalene-2-carboxamide CAS Name: 4-bromo-3-methoxy-N-[sulfanylidene-(2,4,6-trimethylanilino)methyl]-2-naphthalenecarboxamide IUPAC Name: 4-bromo-3-methoxy-N-[(2,4,6-trimethylphenyl)carbamothioyl]naphthalene-2-carboxamide Traditional Name: 4-bromo-N-(mesitylthiocarbamoyl)-3-methoxy-2-naphthamide Formula: C22H21BrN2O2S MolecularWeight: 457.38334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)C

InChI

InChI=1S/C22H21BrN2O2S/c1-12-9-13(2)19(14(3)10-12)24-22(28)25-21(26)17-11-15-7-5-6-8-16(15)18(23)20(17)27-4/h5-11H,1-4H3,(H2,24,25,26,28)