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

Systemtic Name: 5-bromanyl-N-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]-2-methoxy-benzamide Formula: C19H18BrN3O2S2 MolecularWeight: 464.39912

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C19H18BrN3O2S2/c1-10-3-5-12-14(9-21)18(27-16(12)7-10)23-19(26)22-17(24)13-8-11(20)4-6-15(13)25-2/h4,6,8,10H,3,5,7H2,1-2H3,(H2,22,23,24,26)/t10-/m1/s1