3-chloranyl-N-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[2-(2,6-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H18ClN3O3S2 MolecularWeight: 447.95822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H18ClN3O3S2/c1-11-6-5-7-12(2)17(11)27-10-15(25)23-24-20(28)22-19(26)18-16(21)13-8-3-4-9-14(13)29-18/h3-9H,10H2,1-2H3,(H,23,25)(H2,22,24,26,28)