4-bromanyl-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: 4-bromanyl-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: 4-bromo-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 4-bromo-N-[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: 4-bromo-N-[(2-ethyl-6-methylphenyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: 4-bromo-N-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C22H21BrN2O2S MolecularWeight: 457.38334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)C

InChI

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