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

Systemtic Name: 3-chloranyl-6-methoxy-N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-methoxy-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-methoxy-N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-methoxy-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoyl]-6-methoxy-benzothiophene-2-carboxamide Formula: C23H23ClN4O4S2 MolecularWeight: 519.03612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=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

CC(C)CC(=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/C23H23ClN4O4S2/c1-12(2)10-18(29)25-14-6-4-13(5-7-14)21(30)27-28-23(33)26-22(31)20-19(24)16-9-8-15(32-3)11-17(16)34-20/h4-9,11-12H,10H2,1-3H3,(H,25,29)(H,27,30)(H2,26,28,31,33)