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

Systemtic Name: 3-chloranyl-N-[[3-(2-phenylethanoylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[3-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[3-[(2-phenylacetyl)amino]phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C24H18ClN3O2S2 MolecularWeight: 480.00162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18ClN3O2S2/c25-21-18-11-4-5-12-19(18)32-22(21)23(30)28-24(31)27-17-10-6-9-16(14-17)26-20(29)13-15-7-2-1-3-8-15/h1-12,14H,13H2,(H,26,29)(H2,27,28,30,31)