2-[2-(1-adamantyl)ethanoylcarbamothioylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(1-adamantyl)ethanoylcarbamothioylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(1-adamantyl)acetyl]carbamothioylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(1-adamantyl)acetyl]carbamothioylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H37N3O2S2 MolecularWeight: 487.72088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H37N3O2S2/c1-25(2,3)17-4-5-18-19(9-17)33-23(21(18)22(27)31)29-24(32)28-20(30)13-26-10-14-6-15(11-26)8-16(7-14)12-26/h14-17H,4-13H2,1-3H3,(H2,27,31)(H2,28,29,30,32)