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

Systemtic Name: (6S)-6-tert-butyl-2-(phenylcarbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-2-(benzoylcarbamothioylamino)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-2-[[benzamido(sulfanylidene)methyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-2-(benzoylcarbamothioylamino)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-2-(benzoylthiocarbamoylamino)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S2/c1-21(2,3)13-9-10-14-15(11-13)28-19(16(14)17(22)25)24-20(27)23-18(26)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H2,22,25)(H2,23,24,26,27)/t13-/m0/s1