N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[3-(isobutyrylamino)phenyl]thiocarbamoyl]-1-naphthamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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