N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]-1-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=CC=CC3=CC=CC=C32

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC=CC3=CC=CC=C32

InChI

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