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

Systemtic Name: N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C21H19ClN4O3S2 MolecularWeight: 474.98356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O3S2/c1-2-5-16(27)23-13-10-8-12(9-11-13)19(28)25-26-21(30)24-20(29)18-17(22)14-6-3-4-7-15(14)31-18/h3-4,6-11H,2,5H2,1H3,(H,23,27)(H,25,28)(H2,24,26,29,30)