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

Systemtic Name: 3-methoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: 3-methoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: 3-methoxy-N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 3-methoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: 3-methoxy-N-[(3-propionamidophenyl)thiocarbamoyl]-2-naphthamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S/c1-3-20(26)23-16-9-6-10-17(13-16)24-22(29)25-21(27)18-11-14-7-4-5-8-15(14)12-19(18)28-2/h4-13H,3H2,1-2H3,(H,23,26)(H2,24,25,27,29)