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

Systemtic Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]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(=CC=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3)OC

InChI

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