N-[[3-(butanoylamino)phenyl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]-2-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=CC3=CC=CC=C3C=C2

Isomeric SMILES

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

InChI

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