5-bromanyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-bromanyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[[4-(isobutyrylamino)phenyl]thiocarbamoyl]-1-naphthamide Formula: C22H20BrN3O2S MolecularWeight: 470.3821

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br

InChI

InChI=1S/C22H20BrN3O2S/c1-13(2)20(27)24-14-9-11-15(12-10-14)25-22(29)26-21(28)18-7-3-6-17-16(18)5-4-8-19(17)23/h3-13H,1-2H3,(H,24,27)(H2,25,26,28,29)