3-chloranyl-N-[[2-(4-ethylphenoxy)ethanoylamino]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[2-(4-ethylphenoxy)ethanoylamino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[2-(4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[[2-(4-ethylphenoxy)acetyl]amino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H18ClN3O3S2 MolecularWeight: 447.95822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

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