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

Systemtic Name: N-tert-butyl-3-chloranyl-7-(3-methylbutanoylcarbamothioylamino)-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-(3-methylbutanoylcarbamothioylamino)benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-(3-methylbutanoylcarbamothioylamino)-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-(isovalerylthiocarbamoylamino)benzothiophene-2-carboxamide Formula: C19H24ClN3O2S2 MolecularWeight: 425.99576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN3O2S2/c1-10(2)9-13(24)22-18(26)21-12-8-6-7-11-14(20)16(27-15(11)12)17(25)23-19(3,4)5/h6-8,10H,9H2,1-5H3,(H,23,25)(H2,21,22,24,26)