N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]-4-phenyl-benzamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)OC

InChI

InChI=1S/C26H27N3O3S/c1-3-4-10-24(30)28-22-16-15-21(17-23(22)32-2)27-26(33)29-25(31)20-13-11-19(12-14-20)18-8-6-5-7-9-18/h5-9,11-17H,3-4,10H2,1-2H3,(H,28,30)(H2,27,29,31,33)