3-butoxy-N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoyl]benzamide Formula: C27H28ClN3O4S MolecularWeight: 526.04692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C(C)OC3=CC=CC=C3Cl

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C(C)OC3=CC=CC=C3Cl

InChI

InChI=1S/C27H28ClN3O4S/c1-3-4-16-34-22-9-7-8-19(17-22)26(33)31-27(36)30-21-14-12-20(13-15-21)29-25(32)18(2)35-24-11-6-5-10-23(24)28/h5-15,17-18H,3-4,16H2,1-2H3,(H,29,32)(H2,30,31,33,36)