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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC(=CC(=C3OC)C)Br

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC(=CC(=C3OC)C)Br

InChI

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