7-(butanoylcarbamothioylamino)-N-tert-butyl-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: 7-(butanoylcarbamothioylamino)-N-tert-butyl-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: 7-(butanoylcarbamothioylamino)-N-tert-butyl-3-chloro-benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: 7-(butanoylcarbamothioylamino)-N-tert-butyl-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-7-(butyrylthiocarbamoylamino)-3-chloro-benzothiophene-2-carboxamide Formula: C18H22ClN3O2S2 MolecularWeight: 411.96918

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC=CC2=C1SC(=C2Cl)C(=O)NC(C)(C)C

Isomeric SMILES

CCCC(=O)NC(=S)NC1=CC=CC2=C1SC(=C2Cl)C(=O)NC(C)(C)C

InChI

InChI=1S/C18H22ClN3O2S2/c1-5-7-12(23)21-17(25)20-11-9-6-8-10-13(19)15(26-14(10)11)16(24)22-18(2,3)4/h6,8-9H,5,7H2,1-4H3,(H,22,24)(H2,20,21,23,25)