N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]-2-naphthamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O2S/c1-2-19(26)23-16-9-10-17(22)18(12-16)24-21(28)25-20(27)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3,(H,23,26)(H2,24,25,27,28)