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

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

Isomeric SMILES

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

InChI

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