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

Systemtic Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-4-(phenoxymethyl)benzamide Openeye Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-4-(phenoxymethyl)benzamide CAS Name: N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-4-(phenoxymethyl)benzamide IUPAC Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-4-(phenoxymethyl)benzamide Traditional Name: N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]-4-(phenoxymethyl)benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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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)COC3=CC=CC=C3)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3)OC

InChI

InChI=1S/C27H29N3O4S/c1-3-4-10-25(31)29-23-16-15-21(17-24(23)33-2)28-27(35)30-26(32)20-13-11-19(12-14-20)18-34-22-8-6-5-7-9-22/h5-9,11-17H,3-4,10,18H2,1-2H3,(H,29,31)(H2,28,30,32,35)