5-bromanyl-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-(2-methoxyethoxy)benzamide

Systemtic Name: 5-bromanyl-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-(2-methoxyethoxy)benzamide Openeye Name: 5-bromo-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-2-(2-methoxyethoxy)benzamide CAS Name: 5-bromo-N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-2-(2-methoxyethoxy)benzamide IUPAC Name: 5-bromo-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-(2-methoxyethoxy)benzamide Traditional Name: 5-bromo-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-2-(2-methoxyethoxy)benzamide Formula: C20H20BrN3O3S2 MolecularWeight: 494.4251

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

COCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C20H20BrN3O3S2/c1-26-8-9-27-16-7-6-12(21)10-14(16)18(25)23-20(28)24-19-15(11-22)13-4-2-3-5-17(13)29-19/h6-7,10H,2-5,8-9H2,1H3,(H2,23,24,25,28)