5-bromanyl-N-[4-(propanoylcarbamothioylamino)phenyl]naphthalene-1-carboxamide

Systemtic Name: 5-bromanyl-N-[4-(propanoylcarbamothioylamino)phenyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[4-(propanoylcarbamothioylamino)phenyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[4-(propanoylcarbamothioylamino)phenyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[4-(propionylthiocarbamoylamino)phenyl]-1-naphthamide Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrN3O2S/c1-2-19(26)25-21(28)24-14-11-9-13(10-12-14)23-20(27)17-7-3-6-16-15(17)5-4-8-18(16)22/h3-12H,2H2,1H3,(H,23,27)(H2,24,25,26,28)