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

Systemtic Name: N-tert-butyl-3-chloranyl-7-(hexanoylcarbamothioylamino)-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-(hexanoylcarbamothioylamino)benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-(hexanoylcarbamothioylamino)-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-7-(caproylthiocarbamoylamino)-3-chloro-benzothiophene-2-carboxamide Formula: C20H26ClN3O2S2 MolecularWeight: 440.02234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O2S2/c1-5-6-7-11-14(25)23-19(27)22-13-10-8-9-12-15(21)17(28-16(12)13)18(26)24-20(2,3)4/h8-10H,5-7,11H2,1-4H3,(H,24,26)(H2,22,23,25,27)