3-methoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: 3-methoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: 3-methoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: 3-methoxy-N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 3-methoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: 3-methoxy-N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]-2-naphthamide Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2OC)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2OC)OC

InChI

InChI=1S/C25H27N3O4S/c1-4-5-10-23(29)27-20-12-11-18(15-22(20)32-3)26-25(33)28-24(30)19-13-16-8-6-7-9-17(16)14-21(19)31-2/h6-9,11-15H,4-5,10H2,1-3H3,(H,27,29)(H2,26,28,30,33)