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

Systemtic Name: (6R)-2-[(3,5-diethoxyphenyl)carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6R)-2-[(3,5-diethoxybenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6R)-2-[[[[(3,5-diethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6R)-2-[(3,5-diethoxybenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6R)-2-[(3,5-diethoxybenzoyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S2/c1-4-28-14-9-13(10-15(11-14)29-5-2)20(27)24-22(30)25-21-18(19(23)26)16-7-6-12(3)8-17(16)31-21/h9-12H,4-8H2,1-3H3,(H2,23,26)(H2,24,25,27,30)/t12-/m1/s1