N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]pentanamide Openeye Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]pentanamide CAS Name: N-[[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]pentanamide Traditional Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoyl]valeramide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C(C)OC2=CC=CC=C2Cl

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C(C)OC2=CC=CC=C2Cl

InChI

InChI=1S/C21H24ClN3O3S/c1-3-4-9-19(26)25-21(29)24-16-12-10-15(11-13-16)23-20(27)14(2)28-18-8-6-5-7-17(18)22/h5-8,10-14H,3-4,9H2,1-2H3,(H,23,27)(H2,24,25,26,29)