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

Systemtic Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]-1-naphthamide Formula: C24H25N3O3S MolecularWeight: 435.5386

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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=CC=CC=C32)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O3S/c1-3-4-12-22(28)26-20-14-13-17(15-21(20)30-2)25-24(31)27-23(29)19-11-7-9-16-8-5-6-10-18(16)19/h5-11,13-15H,3-4,12H2,1-2H3,(H,26,28)(H2,25,27,29,31)