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

Systemtic Name: 4-bromanyl-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: 4-bromo-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 4-bromo-N-[[(4,6-dimethyl-2-pyrimidinyl)amino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: 4-bromo-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: 4-bromo-N-[(4,6-dimethylpyrimidin-2-yl)thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C19H17BrN4O2S MolecularWeight: 445.33288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)C

InChI

InChI=1S/C19H17BrN4O2S/c1-10-8-11(2)22-18(21-10)24-19(27)23-17(25)14-9-12-6-4-5-7-13(12)15(20)16(14)26-3/h4-9H,1-3H3,(H2,21,22,23,24,25,27)