N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-3-phenylmethoxy-benzamide

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]benzamide Formula: C25H24ClN3O3S MolecularWeight: 481.99436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN3O3S/c1-2-7-23(30)27-19-12-13-21(26)22(15-19)28-25(33)29-24(31)18-10-6-11-20(14-18)32-16-17-8-4-3-5-9-17/h3-6,8-15H,2,7,16H2,1H3,(H,27,30)(H2,28,29,31,33)