(6R)-2-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6R)-2-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6R)-2-[(3-bromo-4-ethoxy-benzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6R)-2-[[[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6R)-2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6R)-2-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H22BrN3O3S2 MolecularWeight: 496.44098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C)C(=O)N)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)C[C@@H](CC3)C)C(=O)N)Br

InChI

InChI=1S/C20H22BrN3O3S2/c1-3-27-14-7-5-11(9-13(14)21)18(26)23-20(28)24-19-16(17(22)25)12-6-4-10(2)8-15(12)29-19/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,22,25)(H2,23,24,26,28)/t10-/m1/s1