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

Systemtic Name: N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]cyclopropanecarboxamide Openeye Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]cyclopropanecarboxamide CAS Name: N-[[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]anilino]-sulfanylidenemethyl]cyclopropanecarboxamide IUPAC Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]cyclopropanecarboxamide Traditional Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoyl]cyclopropanecarboxamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2CC2)OC3=CC=CC=C3Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2CC2)OC3=CC=CC=C3Cl

InChI

InChI=1S/C20H20ClN3O3S/c1-12(27-17-5-3-2-4-16(17)21)18(25)22-14-8-10-15(11-9-14)23-20(28)24-19(26)13-6-7-13/h2-5,8-13H,6-7H2,1H3,(H,22,25)(H2,23,24,26,28)