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

Systemtic Name: N-tert-butyl-3-chloranyl-7-(naphthalen-1-ylcarbonylcarbamothioylamino)-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-(naphthalene-1-carbonylcarbamothioylamino)benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[[[1-naphthalenyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-(naphthalene-1-carbonylcarbamothioylamino)-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-(1-naphthoylthiocarbamoylamino)benzothiophene-2-carboxamide Formula: C25H22ClN3O2S2 MolecularWeight: 496.04408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43)Cl

InChI

InChI=1S/C25H22ClN3O2S2/c1-25(2,3)29-23(31)21-19(26)17-12-7-13-18(20(17)33-21)27-24(32)28-22(30)16-11-6-9-14-8-4-5-10-15(14)16/h4-13H,1-3H3,(H,29,31)(H2,27,28,30,32)