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

Systemtic Name: 3-bromanyl-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-4-propoxy-benzamide Formula: C20H20BrN3O2S2 MolecularWeight: 478.4257

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N)Br

InChI

InChI=1S/C20H20BrN3O2S2/c1-2-9-26-16-8-7-12(10-15(16)21)18(25)23-20(27)24-19-14(11-22)13-5-3-4-6-17(13)28-19/h7-8,10H,2-6,9H2,1H3,(H2,23,24,25,27)