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

Systemtic Name: 6-tert-butyl-2-(hexanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-tert-butyl-2-(hexanoylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-2-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-tert-butyl-2-(hexanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-butyl-2-(caproylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H31N3O2S2 MolecularWeight: 409.60904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)N

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)N

InChI

InChI=1S/C20H31N3O2S2/c1-5-6-7-8-15(24)22-19(26)23-18-16(17(21)25)13-10-9-12(20(2,3)4)11-14(13)27-18/h12H,5-11H2,1-4H3,(H2,21,25)(H2,22,23,24,26)