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

Systemtic Name: 5-bromanyl-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C25H22BrN3O2S2 MolecularWeight: 540.49508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H22BrN3O2S2/c26-17-10-11-21(31-13-12-16-6-2-1-3-7-16)19(14-17)23(30)28-25(32)29-24-20(15-27)18-8-4-5-9-22(18)33-24/h1-3,6-7,10-11,14H,4-5,8-9,12-13H2,(H2,28,29,30,32)