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

Systemtic Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[3-(isobutyrylamino)phenyl]thiocarbamoyl]-2-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=CC3=CC=CC=C3C=C2

Isomeric SMILES

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

InChI

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