6-tert-butyl-2-(2-phenylethanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-tert-butyl-2-(2-phenylethanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-tert-butyl-2-[(2-phenylacetyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-2-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-tert-butyl-2-[(2-phenylacetyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-butyl-2-[(2-phenylacetyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S2/c1-22(2,3)14-9-10-15-16(12-14)29-20(18(15)19(23)27)25-21(28)24-17(26)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H2,23,27)(H2,24,25,26,28)