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

Systemtic Name: 3-chloranyl-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-(isobutyrylamino)-3-methoxy-phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H20ClN3O3S2 MolecularWeight: 461.9848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O3S2/c1-11(2)19(26)24-14-9-8-12(10-15(14)28-3)23-21(29)25-20(27)18-17(22)13-6-4-5-7-16(13)30-18/h4-11H,1-3H3,(H,24,26)(H2,23,25,27,29)