5-bromanyl-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-bromanyl-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]-1-naphthamide Formula: C24H24BrN3O3S MolecularWeight: 514.43466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24BrN3O3S/c1-3-4-11-22(29)27-20-13-12-15(14-21(20)31-2)26-24(32)28-23(30)18-9-5-8-17-16(18)7-6-10-19(17)25/h5-10,12-14H,3-4,11H2,1-2H3,(H,27,29)(H2,26,28,30,32)