5-chloranyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-chloranyl-N-[[4-(propanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-chloro-N-[[4-(propanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-chloro-N-[[4-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-chloro-N-[[4-(propanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-chloro-N-[(4-propionamidophenyl)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)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Cl

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Cl

InChI

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