4-bromanyl-3-methoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: 4-bromanyl-3-methoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: 4-bromo-3-methoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: 4-bromo-3-methoxy-N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 4-bromo-3-methoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: 4-bromo-3-methoxy-N-[(3-propionamidophenyl)thiocarbamoyl]-2-naphthamide Formula: C22H20BrN3O3S MolecularWeight: 486.3815

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br

Isomeric SMILES

CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br

InChI

InChI=1S/C22H20BrN3O3S/c1-3-18(27)24-14-8-6-9-15(12-14)25-22(30)26-21(28)17-11-13-7-4-5-10-16(13)19(23)20(17)29-2/h4-12H,3H2,1-2H3,(H,24,27)(H2,25,26,28,30)