(6R)-6-tert-butyl-2-[(2-methylphenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6R)-6-tert-butyl-2-[(2-methylphenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6R)-6-tert-butyl-2-[(2-methylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6R)-6-tert-butyl-2-[[[[(2-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6R)-6-tert-butyl-2-[(2-methylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6R)-6-tert-butyl-2-(o-toluoylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=C(C3=C(S2)C[C@@H](CC3)C(C)(C)C)C(=O)N

InChI

InChI=1S/C22H27N3O2S2/c1-12-7-5-6-8-14(12)19(27)24-21(28)25-20-17(18(23)26)15-10-9-13(22(2,3)4)11-16(15)29-20/h5-8,13H,9-11H2,1-4H3,(H2,23,26)(H2,24,25,27,28)/t13-/m1/s1