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

Systemtic Name: N-tert-butyl-3-chloranyl-7-(propanoylcarbamothioylamino)-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-(propanoylcarbamothioylamino)benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-(propanoylcarbamothioylamino)-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-(propionylthiocarbamoylamino)benzothiophene-2-carboxamide Formula: C17H20ClN3O2S2 MolecularWeight: 397.9426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O2S2/c1-5-11(22)20-16(24)19-10-8-6-7-9-12(18)14(25-13(9)10)15(23)21-17(2,3)4/h6-8H,5H2,1-4H3,(H,21,23)(H2,19,20,22,24)