N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-2-(4-ethylphenoxy)ethanamide

Systemtic Name: N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-2-(4-ethylphenoxy)ethanamide Openeye Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]-2-(4-ethylphenoxy)acetamide CAS Name: N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(4-ethylphenoxy)acetamide IUPAC Name: N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-2-(4-ethylphenoxy)acetamide Traditional Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]-2-(4-ethylphenoxy)acetamide Formula: C20H18ClN3O3S2 MolecularWeight: 447.95822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NC(=S)NNC(=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)22-20(28)24-23-19(26)18-17(21)14-5-3-4-6-15(14)29-18/h3-10H,2,11H2,1H3,(H,23,26)(H2,22,24,25,28)