N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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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=C2OC

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2OC

InChI

InChI=1S/C22H20ClN3O3S/c1-3-20(27)24-15-8-9-17(23)18(12-15)25-22(30)26-21(28)16-10-13-6-4-5-7-14(13)11-19(16)29-2/h4-12H,3H2,1-2H3,(H,24,27)(H2,25,26,28,30)