3-chloranyl-N-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[3-[(1-oxo-2-phenoxyethyl)amino]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[3-[(2-phenoxyacetyl)amino]phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C24H18ClN3O3S2 MolecularWeight: 496.00102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C24H18ClN3O3S2/c25-21-18-11-4-5-12-19(18)33-22(21)23(30)28-24(32)27-16-8-6-7-15(13-16)26-20(29)14-31-17-9-2-1-3-10-17/h1-13H,14H2,(H,26,29)(H2,27,28,30,32)