3-chloranyl-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[3-(pivaloylamino)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H20ClN3O2S2 MolecularWeight: 445.9854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O2S2/c1-21(2,3)19(27)23-12-7-6-8-13(11-12)24-20(28)25-18(26)17-16(22)14-9-4-5-10-15(14)29-17/h4-11H,1-3H3,(H,23,27)(H2,24,25,26,28)