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

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-2-naphthamide Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O2S/c1-2-5-20(27)24-17-10-11-18(23)19(13-17)25-22(29)26-21(28)16-9-8-14-6-3-4-7-15(14)12-16/h3-4,6-13H,2,5H2,1H3,(H,24,27)(H2,25,26,28,29)