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

Systemtic Name: (6R)-2-[(4-butoxyphenyl)carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6R)-2-[(4-butoxybenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6R)-2-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6R)-2-[(4-butoxybenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6R)-2-[(4-butoxybenzoyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C)C(=O)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)C[C@@H](CC3)C)C(=O)N

InChI

InChI=1S/C22H27N3O3S2/c1-3-4-11-28-15-8-6-14(7-9-15)20(27)24-22(29)25-21-18(19(23)26)16-10-5-13(2)12-17(16)30-21/h6-9,13H,3-5,10-12H2,1-2H3,(H2,23,26)(H2,24,25,27,29)/t13-/m1/s1