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

Systemtic Name: (6R)-2-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6R)-2-[(4-ethoxy-3-nitro-benzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6R)-2-[[[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6R)-2-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6R)-2-[(4-ethoxy-3-nitro-benzoyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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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)[N+](=O)[O-]

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)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5S2/c1-3-29-14-7-5-11(9-13(14)24(27)28)18(26)22-20(30)23-19-16(17(21)25)12-6-4-10(2)8-15(12)31-19/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,21,25)(H2,22,23,26,30)/t10-/m1/s1