N-[[3-(butanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]-1-naphthamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O2S/c1-2-7-20(26)23-16-10-6-11-17(14-16)24-22(28)25-21(27)19-13-5-9-15-8-3-4-12-18(15)19/h3-6,8-14H,2,7H2,1H3,(H,23,26)(H2,24,25,27,28)