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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N)OC

InChI

InChI=1S/C19H18BrN3O2S2/c1-10-7-11(20)8-13(16(10)25-2)17(24)22-19(26)23-18-14(9-21)12-5-3-4-6-15(12)27-18/h7-8H,3-6H2,1-2H3,(H2,22,23,24,26)