N-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide

Systemtic Name: N-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: 4-isopropoxy-N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]benzamide CAS Name: N-[[3-[(1-oxo-2-phenoxyethyl)amino]anilino]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: 4-isopropoxy-N-[[3-[(2-phenoxyacetyl)amino]phenyl]thiocarbamoyl]benzamide Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O4S/c1-17(2)32-22-13-11-18(12-14-22)24(30)28-25(33)27-20-8-6-7-19(15-20)26-23(29)16-31-21-9-4-3-5-10-21/h3-15,17H,16H2,1-2H3,(H,26,29)(H2,27,28,30,33)