N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-4-(2-ethoxyethoxy)benzamide

Systemtic Name: N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-4-(2-ethoxyethoxy)benzamide Openeye Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]-4-(2-ethoxyethoxy)benzamide CAS Name: N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-(2-ethoxyethoxy)benzamide IUPAC Name: N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-4-(2-ethoxyethoxy)benzamide Traditional Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]-4-(2-ethoxyethoxy)benzamide Formula: C21H20ClN3O4S2 MolecularWeight: 477.9842

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCOCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H20ClN3O4S2/c1-2-28-11-12-29-14-9-7-13(8-10-14)19(26)23-21(30)25-24-20(27)18-17(22)15-5-3-4-6-16(15)31-18/h3-10H,2,11-12H2,1H3,(H,24,27)(H2,23,25,26,30)