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

Systemtic Name: N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-3-chloranyl-6-methoxy-1-benzothiophene-2-carboxamide Openeye Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-3-chloro-6-methoxy-benzothiophene-2-carboxamide CAS Name: 3-chloro-6-methoxy-N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide Traditional Name: N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-3-chloro-6-methoxy-benzothiophene-2-carboxamide Formula: C22H21ClN4O4S2 MolecularWeight: 505.00954

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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=C(S2)C=C(C=C3)OC)Cl

Isomeric SMILES

CCCC(=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/C22H21ClN4O4S2/c1-3-4-17(28)24-13-7-5-12(6-8-13)20(29)26-27-22(32)25-21(30)19-18(23)15-10-9-14(31-2)11-16(15)33-19/h5-11H,3-4H2,1-2H3,(H,24,28)(H,26,29)(H2,25,27,30,32)