3-chloranyl-N-[[2-(4-ethylphenoxy)ethanoylamino]carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[2-(4-ethylphenoxy)ethanoylamino]carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-6-methoxy-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[2-(4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-6-methoxy-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[[2-(4-ethylphenoxy)acetyl]amino]thiocarbamoyl]-6-methoxy-benzothiophene-2-carboxamide Formula: C21H20ClN3O4S2 MolecularWeight: 477.9842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl

InChI

InChI=1S/C21H20ClN3O4S2/c1-3-12-4-6-13(7-5-12)29-11-17(26)24-25-21(30)23-20(27)19-18(22)15-9-8-14(28-2)10-16(15)31-19/h4-10H,3,11H2,1-2H3,(H,24,26)(H2,23,25,27,30)