3-chloranyl-N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C25H19Cl2N3O3S2 MolecularWeight: 544.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC4=CC=CC=C4Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC4=CC=CC=C4Cl

InChI

InChI=1S/C25H19Cl2N3O3S2/c1-14(33-19-8-4-3-7-18(19)26)23(31)28-15-10-12-16(13-11-15)29-25(34)30-24(32)22-21(27)17-6-2-5-9-20(17)35-22/h2-14H,1H3,(H,28,31)(H2,29,30,32,34)