3-chloranyl-N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C19H15Cl2N3O2S2 MolecularWeight: 452.3773

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15Cl2N3O2S2/c1-2-15(25)22-10-7-8-12(20)13(9-10)23-19(27)24-18(26)17-16(21)11-5-3-4-6-14(11)28-17/h3-9H,2H2,1H3,(H,22,25)(H2,23,24,26,27)