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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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