N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-phenylmethoxy-benzamide

Systemtic Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[[4-(isobutyrylamino)-3-methoxy-phenyl]thiocarbamoyl]benzamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O4S/c1-17(2)24(30)28-22-13-12-20(15-23(22)32-3)27-26(34)29-25(31)19-10-7-11-21(14-19)33-16-18-8-5-4-6-9-18/h4-15,17H,16H2,1-3H3,(H,28,30)(H2,27,29,31,34)