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

Systemtic Name: 3-chloranyl-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(4-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)23-14-10-12(9-8-11(14)2)22-20(27)24-19(26)18-17(21)13-6-4-5-7-15(13)28-18/h4-10H,3H2,1-2H3,(H,23,25)(H2,22,24,26,27)