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

Systemtic Name: 3-chloranyl-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(2-methyl-3-propionamido-phenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H18ClN3O2S2 MolecularWeight: 431.95882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O2S2/c1-3-16(25)22-13-8-6-9-14(11(13)2)23-20(27)24-19(26)18-17(21)12-7-4-5-10-15(12)28-18/h4-10H,3H2,1-2H3,(H,22,25)(H2,23,24,26,27)