3-chloranyl-6-methoxy-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-methoxy-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-methoxy-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-methoxy-N-[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-methoxy-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-methoxy-N-[[(4-propionamidobenzoyl)amino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H19ClN4O4S2 MolecularWeight: 490.98296

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl

InChI

InChI=1S/C21H19ClN4O4S2/c1-3-16(27)23-12-6-4-11(5-7-12)19(28)25-26-21(31)24-20(29)18-17(22)14-9-8-13(30-2)10-15(14)32-18/h4-10H,3H2,1-2H3,(H,23,27)(H,25,28)(H2,24,26,29,31)